Highly Automated Macromolecular Crystallography

High Impact Ezra T Bekkering, Randy Yoo, Sophia Hailemariam, Fabian Heide, Danton Ivanochko, Matthew Jackman, Nicholas I Proellochs, Rianne Stoter, Geert-Jan van Gemert, Ayana Maeda, Takaaki Yuguchi, Oscar T Wanders, Renate C van Daalen, Maartje R Inklaar, Carolina M Andrade, Pascal W T C Jansen, Michiel Vermeulen, Teun Bousema, Eizo Takashima, John L Rubinstein, Taco W A Kooij, Matthijs M Jore, Jean-Philippe Julien, Cryo-EM structure of endogenous Pfs230:Pfs48/45 complex with six antibodies reveals mechanisms of malaria transmission-blocking activity.. Immunity, PMCID: 41072404 (2025). [doi: 10.1016/j.immuni.2025.09.014]

Emre Tkacik, Dong Man Jang, Kayla Boxer, Byung Hak Ha, Michael J Eck, Characterization and inhibitor sensitivity of ARAF, BRAF, and CRAF kinases.. The Journal of biological chemistry, 110800-null, PMCID: 41072765 (2025). [doi: 10.1016/j.jbc.2025.110800]

High Impact Thomas M DeAngelo, Utsarga Adhikary, Kyle J Korshavn, Hyuk-Soo Seo, Clara R Brotzen-Smith, Christina M Camara, Sirano Dhe-Paganon, Gregory H Bird, Thomas E Wales, Loren D Walensky, Structural insights into chemoresistance mutants of BCL-2 and their targeting by stapled BAD BH3 helices.. Nat. Comm., 16(1), 8623-null, PMCID: 41022713 (2025). [doi: 10.1038/s41467-025-63657-y]

High Impact Wei Yang, Derrick R. Hicks, Agnidipta Ghosh, Tristin A. Schwartze, Brian Conventry, Inna Goreshnik, Aza Allen, Samer F. Halabiya, Chan Johng Kim, Cynthia S. Hinck, David S. Lee, Asim K. Bera, Zhe Li, Yujia Wang, Thomas Schlichthaerle, Longxing Cao, Buwei Huang, Sarah Garrett, Stacey R. Gerben, Stephen Rettie, Piper Heine, Analisa Murray, Natasha Edman, Lauren Carter, Lance Stewart, Steven C. Almo, Andrew P. Hinck, David Baker, Design of high-affinity binders to immune modulating receptors for cancer immunotherapy. Nat. Comm., 16(1), 2001, PMCID: 40011465 (2025). [doi: 10.1038/s41467-025-57192-z]

High Impact Erin Skeens, Federica Maschietto, Ramu Manjula, Shanelle Shillingford, James Murphy, Elias J. Lolis, Victor S. Batista, Anton M. Bennett, George P. Lisi, Dynamic and structural insights into allosteric regulation on MKP5 a dual-specificity phosphatase. Nat. Comm., 16(1), 7011, PMCID: 40745179 (2025). [doi: 10.1038/S41467-025-62150-W]

Abdullah I Al-Homoudi, Joseph Engel, Michael D Muczynski, Joseph S Brunzelle, Navnath S Gavande, Ladislau C Kovari, Human Structural Homologues of SARS-CoV-2 PL ^proas Anti-Targets: A Strategic Panel Analysis.. microPublication biology, 2025, PMCID: 40297819 (2025). [doi: 10.17912/MICROPUB.BIOLOGY.001418]

High Impact Adam J. Broerman, Christoph Pollmann, Yang Zhao, Mauriz A. Lichtenstein, Mark D. Jackson, Maxx H. Tessmer, Won Hee Ryu, Masato Ogishi, Mohamad H. Abedi, Danny D. Sahtoe, Aza Allen, Alex Kang, Joshmyn de la Cruz, Evans Brackenbrough, Banumathi Sankaran, Asim K. Bera, Daniel M. Zuckerman, Stefan Stoll, K. Christopher Garcia, Florian Praetorius, Jacob Piehler, David Baker, Design of facilitated dissociation enables timing of cytokine signalling. Nature, PMCID: 40993395 (2025). [doi: 10.1038/S41586-025-09549-Z]

Vincent Dussupt, Jaime L. Jensen, Paul V. Thomas, Letzibeth Mendez-Rivera, Kerri G. Lal, Michelle Zemil McCrea, Isabella Swafford, Joana Hernandez, Rajeshwer S. Sankhala, Mekhala Rao, Juhi Arora, Agnes Hajduczki, Ningbo Jian, Phyllis A. Rees, Indica Showell-De Leon, Gabriel Smith, Lauren Smith, Diana Wasson, Annika Schmid, I-Ting Teng, Tongqing Zhou, Peter D. Kwong, Jeffrey R. Currier, William W. Reiley, Dominic Paquin-Proulx, Victoria R. Polonis, Natalie D. Collins, Nelson L. Michael, M. Gordon Joyce, Shelly J. Krebs, First-generation N-terminal domain supersite public antibodies retain activity against Omicron-derived lineages and protect mice against Omicron BA.5 challenge. mBio, 16(10), PMCID: 40882161 (2025). [doi: 10.1128/mbio.01036-25]

Krystal M. Ma, Henry J. Sutton, Payal P. Pratap, Jon M. Steichen, Diane Carnathan, James Quinn, Oleksandr Kalyuzhniy, Alessia Liguori, Sashank Agrawal, Sabyasachi Baboo, Patrick Madden, Christopher A. Cottrell, Jordan R. Willis, Jeong-Hyun Lee, Elise Landais, Xiaozhen Hu, Parham Ramezani-Rad, Gabriel Ozorowski, Vanessa R. Lewis, Jolene K. Diedrich, Xiaoya Zhou, Tasha K. Altheide, Nicole Phelps, Erik Georgeson, Nushin B. Alavi, Danny Lu, Saman Eskandarzadeh, Michael Kubitz, Yumiko Adachi, Tina-Marie Mullen, Murillo Silva, Mariane B. Melo, Sunny Himansu, Darrell J. Irvine, Dennis R. Burton, John R. Yates III, James C. Paulson, Devin Sok, Ian A. Wilson, Guido Silvestri, Andrew B. Ward, Shane Crotty, William R. Schief, HIV broadly neutralizing antibody precursors to the Apex epitope induced in nonhuman primates. Sci. Immunol., 10(110), eadt6660, PMCID: 40845127 (2025). [doi: 10.1126/sciimmunol.adt6660]

High Impact Sravan Perla, Amy L. Stiegler, Jae-Sung Yi, Liz Enyenihi, Lei Zhang, Muhammad Riaz, Elvira An, Yibing Qyang, Titus J. Boggon, Anton M. Bennett, SHP2 genetic variants in NSML-associated RASopathies disrupt the PZR-IRX transcription factor signaling axis. Proc Natl Acad Sci USA, 122(35), 2503631122, PMCID: 40854126 (2025). [doi: 10.1073/pnas.2503631122]

High ImpactDaniel A. Erlanson, Stephen K. Burley, Daren Fearon, James S. Fraser, Dale Kreitler, Maria Cristina Nonato, Naoki Sakai, Jan Wollenhaupt, Manfred S. Weiss, Where and how to house big data on small fragments. Nat. Comm., 16(1), 4179 (2025). [doi: 10.1038/s41467-025-59233-z]

High Impact Anam Fatima, YongLe He, James N. Iuliano, Gregory M. Greetham, Partha Malakar, Christopher Hall, Helena A. Woroniecka, Brian C. Richardson, Jarrod B. French, Andras Lukacs, Peter J. Tonge, Stephen R. Meech, Ultrafast photophysics of a positive reversibly switchable fluorescent protein. Chem. Sci., 16(36), 16955-16969, PMCID: 40880781 (2025). [doi: 10.1039/D5SC04491J]

Xuqing Zhang, Harshil Dhruv, Qiaolin Deng, Matthew Tudor, Nelisa Bechtel, Rakesh Nagilla, Larry Jolivette, Cory T. Rice, Peter Orth, Elham Behshad, Corey Strickland, Helai P. Mohammad, Longchuan Bai, Donna McEachern, Shaomeng Wang, Zhihua Sui, E. Scott Priestley, Discovery of a Novel Series of iso-Indolinone-Based Glutarimides as Highly Efficacious and Selective IKZF2 Molecular Glue Degraders. J. Med. Chem., 68(17), 18230-18257, PMCID: 40842140 (2025). [doi: 10.1021/acs.jmedchem.5c00668]

High ImpactRaianna F. Fantin, Meng Yuan, Seok-Chan Park, Bailey Bozarth, Hallie Cohn, Maxinne Ignacio, Patricia Earl, Alesandro Civljak, Gabriel Laghlali, Ding Zhang, Xueyong Zhu, Jameson Crandell, Valter Monteiro, Jordan J. Clark, Catherine Cotter, Martin Burkhardt, Gagandeep Singh, Prajakta Warang, Juan García-Bernalt Diego, Komal Srivastava, Luz A. Lugo, Lauren Pischel, Inci Yildirim, Saad B. Omer, Daniel da Silva, Florian Krammer, Goran Bajic, Viviana Simon, Michael Schotsaert, Carolina Lucas, Ian A. Wilson, Bernard Moss, Camila H. Coelho, Raianna F Fantin, Jordan J Clark, Juan Garcia-Bernalt Diego, Luz A Lugo, Saad B Omer, Ian A Wilson, Camila H Coelho, Human monoclonal antibodies targeting A35 protect from death caused by mpox.. Cell, PMCID: 40865529 (2025). [doi: 10.1016/j.cell.2025.08.004]

Tahereh Damghani, Surbhi P. Chitnis, Omobolanle A. Abidakun, Kishan B. Patel, Kaly S. Lin, Emily A. Ouellette, Abigail M. Lantry, David E. Heppner, Profiling and Optimizing Targeted Covalent Inhibitors through EGFR-Guided Studies. J. Med. Chem., 68(16), 17917-17932, PMCID: 40801664 (2025). [doi: 10.1021/acs.jmedchem.5c01661]

Kriti Khatri, Alyssa Ball, Jill Glesner, Christina Linn, Lisa D. Vailes, Sabina Wunschmann, Scott A. Gabel, Jian Zhang, R. Stokes Peebles, Tomasz Borowski, Geoffrey A. Mueller, Martin D. Chapman Jr, Scott A. Smith, Anna Pomes, Maksymilian Chruszcz, Human IgE monoclonal antibodies define two unusual epitopes trapping dog allergen Can f 1 in different conformations. Protein Sci., 34(9), e70269, PMCID: 40828364 (2025). [doi: 10.1002/pro.70269]

High ImpactLuis Linares-Otoya, Jaden D. Shirkey, Bhuwan Khatri Chhetri, Amira Mira, Abhishek Biswas, Samuel L. Neff, Maria V. Linares-Otoya, Ye Chen, Julio V. Campos-Florian, Mayar L. Ganoza-Yupanqui, Philip D. Jeffrey, Frederick M. Hughson, Mohamed S. Donia, Discovery of a widespread chemical signalling pathway in the Bacteroidota. Nature, PMCID: 40836091 (2025). [doi: 10.1038/s41586-025-09418-9]

High Impact Kejia Wu, Hanlun Jiang, Derrick R. Hicks, Caixuan Liu, Edin Muratspahic, Theresa A. Ramelot, Yuexuan Liu, Kerrie McNally, Sebastian Kenny, Andrei Mihut, Amit Gaur, Brian Coventry, Wei Chen, Asim K. Bera, Alex Kang, Stacey Gerben, Mila Ya-Lan Lamb, Analisa Murray, Xinting Li, Madison A. Kennedy, Wei Yang, Zihao Song, Gudrun Schober, Stuart M. Brierley, John O'Neill, Michael H. Gelb, Gaetano T. Montelione, Emmanuel Derivery, David Baker, Design of intrinsically disordered region binding proteins. Science, 389(6757), eadr8063, PMCID: 40674483 (2025). [doi: 10.1126/science.adr8063]

Joey L Galindo, Philip D Jeffrey, Angela Zhu, A James Link, Jonathan M Conway, Joey L. Galindo, Philip Jeffrey, A. James Link, Jonathan M. Conway, Functional and structural characterization of AtAbf43C: an exo-1,5-α-L-arabinofuranosidase from Acetivibrio thermocellus DSM1313. Biochem. J., 482(16), 1181-1195, PMCID: 40785600 (2025). [doi: 10.1042/BCJ20253186]

High Impact Yanan Du, Julian Dong, Matthew M. Draelos, Laura N. Collazo-Perez, Sean H. Majer, Amie K. Boal, Kenichi Yokoyama, Unusual O-H Activation-Initiated C-C Bond Cleavage Reaction by a Nonheme Fe Enzyme in Antifungal Nucleoside Biosynthesis. J. Am. Chem. Soc., 147(33), 30163-30177, PMCID: 40787846 (2025). [doi: 10.1021/jacs.5c08400]

Benjamin W. Hall, Jeanette C. Neri, Craig A. Bingman, Avery C. Vilbert, Jacob B. Eckmann, Kevin S. Myers, Bryan S. Sibert, Elizabeth R. Wright, Brian G. Fox, Patricia J. Kiley, Daniel R. Noguera, Timothy J. Donohue, Benjamin W Hall, Jeanette C Neri, Craig A Bingman, Avery C Vilbert, Jacob B Eckmann, Kevin S Myers, Bryan S Sibert, Elizabeth R Wright, Brian G Fox, Patricia J Kiley, Daniel R Noguera, Timothy J Donohue, MarK, a Novosphingobium aromaticivorans kinase required for catabolism of multiple aromatic monomers.. The Journal of biological chemistry, 301(10), 110606-null, PMCID: 40840623 (2025). [doi: 10.1016/j.jbc.2025.110606]

Najah Albadari, Yang Xie, Qinghui Wang, Darcie J. Miller, Judith Quadrozzi Gruntz, Michael L. Oldham, Hao Chen, Dejian Ma, Zhongzhi Wu, Duane D. Miller, Wei Li, Design and synthesis of novel 4-aryl-2-benzoyl-imidazoles as colchicine binding site inhibitors. Eur. J. Med. Chem., 298, 118021, PMCID: 40763661 (2025). [doi: 10.1016/j.ejmech.2025.118021]

High Impact Ashok Nuthanakanti, Megan Korn, Rose Levenson-Palmer, Yue Wu, Nandhini Rajesh Babu, Xuhui Huang, Robert S. Banh, Joel G. Belasco, Alexander Serganov, ApaH decaps Np₄N-capped RNAs in two alternative orientations. Nat. Chem. Biol., PMCID: 40789943 (2025). [doi: 10.1038/s41589-025-01991-4]

Gundeep Kaur, John R. Horton, George Tzertzinis, Jujun Zhou, Ira Schildkraut, Xiaodong Cheng, Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase. The Journal of biological chemistry, 301(7), 110357, PMCID: 40505866 (2025). [doi: 10.1016/j.jbc.2025.110357]

Jiaqian Wu, Marek R. Baranowski, Alexander E. Aleshin, Eta A. Isiorho, Lester J. Lambert, Laurent J. S. De Backer, Ye Na Han, Ranajit Das, Douglas J. Sheffler, Andrey A. Bobkov, Alexis M. Lemberikman, Daniel A. Keedy, Nicholas D. P. Cosford, Lutz Tautz, Fragment Screening Identifies Novel Allosteric Binders and Binding Sites in the VHR (DUSP3) Phosphatase. ACS Omega, 10(5), 4912-4926, PMCID: 39959108 (2025). [doi: 10.1021/acsomega.4c10321]

Liliana Guerrero, Ali Ebrahim, Blake T. Riley, Sean H. Kim, Anthony C. Bishop, Jiaqian Wu, Ye Na Han, Lutz Tautz, Daniel A. Keedy, Three STEPs Forward: A Trio of Unexpected Structures of PTPN5. Proteins: Struc. Func. Genet., PMCID: 40616465 (2025). [doi: 10.1002/prot.70013]

K. S. Young, G. R. Hancock, E. C. Fink, A. Zigrossi, B. Flowers, D. A. Cooper, V. T. Nguyen, M. C. Martinez, K. S. Mon, M. Bosland, D. R. Zak, A. P. Runde, M. N. Sharifi, I. Kastrati, D. D. L. Minh, S. Kregel, Sean W. Fanning, Targeting unique ligand binding domain structural features downregulates DKK1 in Y537S ESR1 mutant breast cancer cells. BREAST CANCER RESEARCH, 27(1), 10, PMCID: 39825366 (2025). [doi: 10.1186/s13058-024-01945-z]

High Impact Inna V. Krieger, Paridhi Sukheja, Baiyuan Yang, Su Tang, Daniel Selle, Ashley Woods, Curtis Engelhart, Pradeep Kumar, Michael B. Harbut, Dongdong Liu, Brendan Tsuda, Bo Qin, Grant A. L. Bare, Gencheng Li, Victor Chi, Julian Gambacurta, Janine Hvizdos, Matthew Reagan, Isabelle L. Jones, Lisa M. Massoudi, Lisa K. Woolhiser, Alessandro Cascioferro, Erica Kundrick, Parul Singh, William Reiley, Thomas R. Ioerger, Dilipkumar Reddy Kandula, Jacob W. McCabe, Taijie Guo, David Alland, Helena I. Boshoff, Dirk Schnappinger, Gregory T. Robertson, Khisi Mdluli, Kyoung-Jin Lee, Jiajia Dong, Shuangwei Li, Peter G. Schultz, Sean B. Joseph, Melissa S. Love, K. Barry Sharpless, H. Michael Petrassi, Arnab K. Chatterjee, James C. Sacchettini, Case W. McNamara, SuFEx-based antitubercular compound irreversibly inhibits Pks13. Nature, 645(8081), PMCID: 40739353 (2025). [doi: 10.1038/s41586-025-09286-3]

Andrew R. Mack, Vijay Kumar, Christopher R. Bethel, Magdalena A. Taracila, Brittany A. Miller, Tsuyoshi Uehara, David A. Six, Krisztina M. Papp-Wallace, Focco van den Akker, Robert A. Bonomo, Structure and mechanism of taniborbactam inhibition of the cefepime-hydrolyzing, partial R2-loop deletion Pseudomonas-derived cephalosporinase variant PDC-88. Antimicrob. Agents Chemother., 69(7), PMCID: 40503958 (2025). [doi: 10.1128/aac.00078-25]

Robert S. Phillips, S. Meredith Brown, Structure and dynamics of Proteus vulgaris tryptophan indole-lyase complexes with L-ethionine and L-alanine. Arch. Biochem. Biophys., 768, 110402, PMCID: 40147499 (2025). [doi: 10.1016/j.abb.2025.110402]

Mark E. Kowalewski, Sebastian Zagler, Matthew R. Redinbo, Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry, 64(11), 2401-2411, PMCID: 40397669 (2025). [doi: 10.1021/acs.biochem.5c00015]

Morgan A. Esler, Ke Shi, Joseph A. Rollie, Renee Delgado, Jyoti Vishwakarma, Agnieszka Dabrowska, Janani Prahlad, Seyed Arad Moghadasi, Reuben S. Harris, Hideki Aihara, Structural basis for varying drug resistance of SARS-CoV-2 M^pro E166 variants. mBio, 16(7), PMCID: 40454888 (2025). [doi: 10.1128/mbio.02624-24]

High Impact Christian Kofoed, Girum Erkalo, Nicholas E. S. Tay, Xuanjia Ye, Yutong Lin, Tom W. Muir, Programmable protein ligation on cell surfaces. Nature, 645(8081), PMCID: 40739351 (2025). [doi: 10.1038/s41586-025-09287-2]

High Impact Tao Xie, Max Ruzanov, David Critton, Leidy Merselis, Joseph Naglich, John S. Sack, Ping Zhang, Chunshan Xie, Jeffrey Tredup, Laurel B. Stine, Cameron Messier, David L. Hope, Janet Caceres-Cortes, Luciano Mueller, Alaric J. Dyckman, John A. Newitt, Asmita Choudhury, Stephen C. Wilson, Orthosteric STING inhibition elucidates molecular correction of SAVI STING. Nat. Comm., 16(1), 5695, PMCID: 40595544 (2025). [doi: 10.1038/s41467-025-60632-5]

High Impact Ronnie Richardson-Matthews, Kateryna Velko, Bitan Bhunia, Sabari Ghosh, Julia Oktawiec, Joseph S. Brunzelle, Viet Thuc Dang, Andy I. Nguyen, Metal-α-Helix Peptide Frameworks. J. Am. Chem. Soc., 147(20), 17433-17447, PMCID: 40328673 (2025). [doi: 10.1021/jacs.5c04078]

Deidre M. Johns, Jason Olejniczak, Anjali Babbar, Christopher D. Boone, Ozgur Cakici, Melinda Cheng, Qing-Qing Cheng, Alexey Dementiev, Mariam Eick, Nicky Ferdyan, Eric Fontano, Aaron Forman, Ryan Kozlowski, Szu-Wei Lee, Shital Mehta, Kayla Mowery, Brion Murray, Vivian Nguyen, Andrea Olland, Kim B. Phan, Lily Rivera, Mark Sabat, Paul Sprengeler, Karthik Srinivasan, Zhi Sun, Robert K. Suto, Ty Wilkinson, Chao Wang, Ning Yu, Meirong Xu, Vikas Goel, Gavin Hirst, Siegfried Reich, Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2. BioOrg. Med. Chem., 127, 130307, PMCID: 40516764 (2025). [doi: 10.1016/j.bmcl.2025.130307]

J. Ross Terrell, Gregory M. K. Poon, Coupled Heterogeneity to Dimeric Site-Specific Binding by the POU-Family Transcription Factor OCT2. J. Phys. Chem. B, 129(8), 2138-2148, PMCID: 39960871 (2025). [doi: 10.1021/acs.jpcb.4c07071]

High Impact Caixuan Liu, Kejia Wu, Hojun Choi, Hannah L. Han, Xueli Zhang, Joseph L. Watson, Green Ahn, Jason Z. Zhang, Sara Shijo, Lydia L. Good, Charlotte M. Fischer, Asim K. Bera, Alex Kang, Evans Brackenbrough, Brian Coventry, Derrick R. Hick, Seema Qamar, Xinting Li, Justin Decarreau, Stacey R. Gerben, Wei Yang, Inna Goreshnik, Dionne Vafeados, Xinru Wang, Mila Lamb, Analisa Murray, Sebastian Kenny, Magnus S. Bauer, Andrew N. Hoofnagle, Ping Zhu, Tuomas P. J. Knowles, David Baker, Diffusing protein binders to intrinsically disordered proteins. Nature, 644(8077), PMCID: 40739343 (2025). [doi: 10.1038/s41586-025-09248-9]

High Impact Manoj Jangra, Dmitrii Y. Travin, Elena V. Aleksandrova, Manpreet Kaur, Lena Darwish, Kalinka Koteva, Dorota Klepacki, Wenliang Wang, Maya Tiffany, Akosiererem Sokaribo, Brian K. Coombes, Nora Vazquez-Laslop, Yury S. Polikanov, Alexander S. Mankin, Gerard D. Wright, A broad-spectrum lasso peptide antibiotic targeting the bacterial ribosome. Nature, 640(8060), PMCID: 40140562 (2025). [doi: 10.1038/s41586-025-08723-7]

High Impact Jacob Gordon, Andrea M. Kaminski, Saisamhita R. Bommu, Aleksandra Skrajna, Robert M. Petrovich, Lars C. Pedersen, Robert K. McGinty, Alan J. Warren, Robin E. Stanley, PELP1 coordinates the modular assembly and enzymatic activity of the rixosome complex. Sci. Adv., 11(30), eadw4603, PMCID: 40712028 (2025). [doi: 10.1126/sciadv.adw4603]

High Impact Daniel J. Nilson, Beate Schwer, Steven C. Almo, Stewart Shuman, Agnidipta Ghosh, Structural basis for sensitivity and acquired resistance of fungal cap guanine-N7 methyltransferases to the antifungal antibiotic sinefungin. Nucleic Acids Res., 53(14), gkaf538, PMCID: 40682821 (2025). [doi: 10.1093/nar/gkaf538]

High Impact Olga A. Esakova, Douglas M. Warui, Syam Sundar Neti, John N. Alumasa, Squire J. Booker, Structural basis for catalysis by human lipoyl synthase. Nat. Comm., 16(1), 6355, PMCID: 40640146 (2025). [doi: 10.1038/s41467-025-61393-x]

High Impact Yao Ouyang, Suhao Wang, Damien Sorigue, Todd K. Hyster, Nucleophilic α-Functionalization of Benzyl Amines Using an Engineered Threonine Aldolase. J. Am. Chem. Soc., 147(29), 25184-25190, PMCID: 40631863 (2025). [doi: 10.1021/jacs.5c04097]

Nisansala Vithanage, Rifat Hasan Apurba, Hamza Enesi Ozomarisi, Carson J. Bair, Eve L. Sugg, Victor K. Outlaw, SARS-CoV-2 Omicron Variant Spike Glycoprotein Mutation Q954H Enhances Fusion Core Stability. ACS Chem. Biol., 20(7), 1627-1634, PMCID: 40619650 (2025). [doi: 10.1021/acschembio.5c00208]

High Impact Kristin R. Osika, Matthew N. Gaynes, David W. Christianson, Crystal structure and catalytic mechanism of drimenol synthase, an unusual bifunctional terpene cyclase-phosphatase. Proc Natl Acad Sci USA, 122(26), e2506584122, PMCID: 40569382 (2025). [doi: 10.1073/pnas.2506584122]

Mercedes B. Fisk, Jocelyn Barrera Ramirez, Collin E. Merrick, Timothy A. Wencewicz, Andrew M. Gulick, Mercedes B. Fisk, Jocelyn Barrera Ramirez, Collin E. Merrick, Timothy A. Wencewicz, Andrew M. Gulick, Identification and Characterization of the Biosynthesis of the Hybrid NRPS-NIS Siderophore Nocardichelin. ACS Chem. Biol., 20(6), 1435-1446, PMCID: 40479602 (2025). [doi: 10.1021/acschembio.5c00286]

High ImpactStephen A. Rettie, David Juergens, Victor Adebomi, Yensi Flores Bueso, Qinqin Zhao, Alexandria N. Leveille, Andi Liu, Asim K. Bera, Joana A. Wilms, Alina Üffing, Alex Kang, Evans Brackenbrough, Mila Lamb, Stacey R. Gerben, Analisa Murray, Paul M. Levine, Maika Schneider, Vibha Vasireddy, Sergey Ovchinnikov, Oliver H. Weiergräber, Dieter Willbold, Joshua A. Kritzer, Joseph D. Mougous, David Baker, Frank DiMaio, Gaurav Bhardwaj, Stephen A. Rettie, David Juergens, Victor Adebomi, Yensi Flores Bueso, Qinqin Zhao, Alexandria N. Leveille, Andi Liu, Asim K. Bera, Joana A. Wilms, Alina Ueffing, Alex Kang, Evans Brackenbrough, Mila Lamb, Stacey R. Gerben, Analisa Murray, Paul M. Levine, Maika Schneider, Vibha Vasireddy, Sergey Ovchinnikov, Oliver H. Weiergraeber, Dieter Willbold, Joshua A. Kritzer, Joseph D. Mougous, David Baker, Frank Dimaio, Gaurav Bhardwaj, Accurate de novo design of high-affinity protein-binding macrocycles using deep learning. Nat. Chem. Biol., PMCID: 40542165 (2025). [doi: 10.1038/s41589-025-01929-w]

J. Aishima, B. Andi, L. Berman, J. Byrnes, S. Chodankar, E. Farquhar, M. R. Fuchs, J. Jakoncic, D. Kreitler, E. Lazo, S. Myers, K. Qian, R. Schaffer, V. Shekar, W. Shi, A. Soares, V. Stojanoff, R. M. Sweet, L. Yang, S. McSweeney, Structural biology at the National Synchrotron Light Source II. J. Synch. Rad., 32, 873-883, PMCID: 40570041 (2025). [doi: 10.1107/S1600577525003194]

Elena V. Aleksandrova, Egor A. Syroegin, Ritwika S. Basu, Alexander A. Vassilevski, Matthieu G. Gagnon, Yury S. Polikanov, Elena V Aleksandrova, Egor A Syroegin, Ritwika S Basu, Alexander A Vassilevski, Matthieu G Gagnon, Yury S Polikanov, Mechanism of release factor-mediated peptidyl-tRNA hydrolysis on the ribosome.. Science (New York, N.Y.), 388(6753), eads9030-null, PMCID: 40536958 (2025). [doi: 10.1126/science.ads9030]

High ImpactKailey N. Martin, Gwendolyn Lam, Oksana Reznichenko, Kyle E. Brunner, Michael J. Zdilla, Sawyer E. McCarthy, Anton Granzhan, Liliya A. Yatsunyk, Conformational Change in a Four-Tetrad DNA G-Quadruplex upon Intercalation of a Small-Molecule Ligand PyDH2. Angew. Chem. Int. Ed., PMCID: 40403170 (2025). [doi: 10.1002/anie.202501443]

High ImpactStephen A. Rettie, Katelyn V. Campbell, Asim K. Bera, Alex Kang, Simon Kozlov, Yensi Flores Bueso, Joshmyn De La Cruz, Maggie Ahlrichs, Suna Cheng, Stacey R. Gerben, Mila Lamb, Analisa Murray, Victor Adebomi, Guangfeng Zhou, Frank DiMaio, Sergey Ovchinnikov, Gaurav Bhardwaj, Stephen A. Rettie, Katelyn V. Campbell, Asim K. Bera, Alex Kang, Simon Kozlov, Yensi Flores Bueso, Joshmyn de la Cruz, Maggie Ahlrichs, Suna Cheng, Stacey R. Gerben, Mila Lamb, Analisa Murray, Victor Adebomi, Guangfeng Zhou, Frank DiMaio, Sergey Ovchinnikov, Gaurav Bhardwaj, Cyclic peptide structure prediction and design using AlphaFold2. Nat. Comm., 16(1), 4730, PMCID: 40399308 (2025). [doi: 10.1038/s41467-025-59940-7]

Robert J. Ragotte, M. Alejandra Tortorici, Nicholas J. Catanzaro, Amin Addetia, Brian Coventry, Heather M. Froggatt, Jimin Lee, Cameron Stewart, Jack T. Brown, Inna Goreshnik, Jeremiah N. Sims, Lukas F. Milles, Basile I.M. Wicky, Matthias Glögl, Stacey Gerben, Alex Kang, Asim K. Bera, William Sharkey, Alexandra Schäfer, Jack R. Harkema, Ralph S. Baric, David Baker, David Veesler, Robert J. Ragotte, M. Alejandra Tortorici, Nicholas J. Catanzaro, Amin Addetia, Brian Coventry, Heather M. Froggatt, Jimin Lee, Cameron Stewart, Jack T. Brown, Inna Goreshnik, Jeremiah N. Sims, Lukas F. Milles, Basile I. M. Wicky, Matthias Glogl, Stacey Gerben, Alex Kang, Asim K. Bera, William Sharkey, Alexandra Schafer, Jack R. Harkema, Ralph S. Banc, David Baker, David Veesler, Designed miniproteins potently inhibit and protect against MERS-CoV. Cell Rep., 44(6), 115760, PMCID: 40450691 (2025). [doi: 10.1016/j.celrep.2025.115760]

High ImpactJoel M. J. Tan, Sarah Melamed, Joshua C. Cofsky, Deepsing Syangtan, Samuel J. Hobbs, Josefina del Mármol, Marco Jost, Andrew C. Kruse, Rotem Sorek, Philip J. Kranzusch, Joel M. J. Tan, Sarah Melamed, Joshua C. Cofsky, Deepsing Syangtan, Samuel J. Hobbs, Josefina del Marmol, Marco Jost, Andrew C. Kruse, Rotem Sorek, Philip J. Kranzusch, A DNA-gated molecular guard controls bacterial Hailong anti-phage defence. Nature, 643(8072), PMCID: 40306316 (2025). [doi: 10.1038/s41586-025-09058-z]

High ImpactHaijiao Liu, Max Henderson, Zhili Pang, Qingfang Zhang, Eric Lam, Qun Liu, Haijiao Liu, Max Henderson, Zhili Pang, Qingfang Zhang, Eric Lam, Qun Liu, Structural determinants for pH-dependent activation of a plant metacaspase. Nat. Comm., 16(1), 4973, PMCID: 40442124 (2025). [doi: 10.1038/s41467-025-60253-y]

Mi-Kyung Yun, Chitra Subramanian, Karen Miller, Pamela Jackson, Christopher D. Radka, Charles O. Rock, Mi-Kyung Yun, Chitra Subramanian, Karen Miller, Pamela Jackson, Christopher D. Radka, Charles O. Rock, Isoleucine Binding and Regulation of Escherichia coli and Staphylococcus aureus Threonine Dehydratase (IlvA). Biochemistry, 64(13), 2793-2810, PMCID: 40494512 (2025). [doi: 10.1021/acs.biochem.5c00168]

High ImpactOlga Rechkoblit, Daniela Sciaky, Mi Ni, Yangmei Li, Jithesh Kottur, Gang Fang, Aneel K. Aggarwal, Olga Rechkoblit, Daniela Sciaky, Mi Ni, Yangmei Li, Jithesh Kottur, Gang Fang, Aneel K. Aggarwal, Mechanism of DNA degradation by CBASS Cap5 endonuclease immune effector. Nat. Comm., 16(1), 5243, PMCID: 40473611 (2025). [doi: 10.1038/s41467-025-60484-z]

Helen B Belato, Alexa L Knight, Alexandra M D'Ordine, Chinmai Pindi, Zhiqiang Fan, Jinping Luo, Giulia Palermo, Gerwald Jogl, George P Lisi, Helen B. Belato, Alexa L. Knight, Alexandra M. D'Ordine, Chinmai Pindi, Zhiqiang Fan, Jinping Luo, Giulia Palermo, Gerwald Jogl, George P. Lisi, Structural and dynamic impacts of single-atom disruptions to guide RNA interactions within the recognition lobe of Geobacillus stearothermophilus Cas9. eLIfe, 13, RP99275, PMCID: 40387084 (2025). [doi: 10.7554/eLife.99275]

Danielle Swingle, Leah Epstein, Ramisha Aymon, Eta A. Isiorho, Rinat R. Abzalimov, Denize C. Favaro, Kevin H. Gardner, Variations in kinase and effector signaling logic in a bacterial two component signaling network. J. Biol. Chem., 301(6), 108534 (2025). [doi: 10.1016/j.jbc.2025.108534]

Tom G. Caniels, Madhu Prabhakaran, Gabriel Ozorowski, Kellie J. MacPhee, Weiwei Wu, Karlijn van der Straten, Sashank Agrawal, Ronald Derking, Emma I. M. M. Reiss, Katrina Millard, Martina Turroja, Aimee Desrosiers, Jeffrey Bethony, Elissa Malkin, Marinus H. Liesdek, Annelou van der Veen, Michelle Klouwens, Jonne L. Snitselaar, Joey H. Bouhuijs, Rhianna Bronson, Jalen Jean-Baptiste, Suprabhath Gajjala, Zahra Rikhtegaran Tehrani, Alison Benner, Mukundhan Ramaswami, Michael O. Duff, Yung-Wen Liu, Alicia H. Sato, Ju Yeong Kim, Isabel J. L. Baken, Catarina Mendes Silva, Tom P. L. Bijl, Jacqueline van Rijswijk, Judith A. Burger, Albert Cupo, Anila Yasmeen, Swastik Phulera, Wen-Hsin Lee, Kipchoge N. Randall, Shiyu Zhang, Martin M. Corcoran, Isabel Regadas, Alex C. Sullivan, David M. Brown, Jennifer A. Bohl, Kelli M. Greene, Hongmei Gao, Nicole L. Yates, Sheetal Sawant, Jan M. Prins, Neeltje A. Kootstra, Stephen M. Kaminsky, Burc Barin, Farhad Rahaman, Margaret Meller, Vince Philiponis, Dagna S. Laufer, Angela Lombardo, Lindsey Mwoga, Solmaz Shotorbani, Drienna Holman, Richard A. Koup, Per Johan Klasse, Gunilla B. Karlsson Hedestam, Georgia D. Tomaras, Marit J. van Gils, David C. Montefiori, Adrian B. McDermott, Ollivier Hyrien, John P. Moore, Ian A. Wilson, Andrew B. Ward, David J. Diemert, Godelieve J. de Bree, Sarah F. Andrews, Marina Caskey, Rogier W. Sanders, Tom G Caniels, Kellie J MacPhee, Emma I M M Reiss, Marinus H Liesdek, Jonne L Snitselaar, Joey H Bouhuijs, Michael O Duff, Alicia H Sato, Isabel J L Baken, Tom P L Bijl, Judith A Burger, Kipchoge N Jr Randall, Martin M Corcoran, Alex C Sullivan, David M Brown, Jennifer A Bohl, Kelli M Greene, Nicole L Yates, Jan M Prins, Neeltje A Kootstra, Stephen M Kaminsky, Dagna S Laufer, Richard A Koup, Gunilla B Karlsson Hedestam, Georgia D Tomaras, Marit J van Gils, David C Montefiori, Adrian B McDermott, John P Moore, Ian A Wilson, Andrew B Ward, David J Diemert, Godelieve J de Bree, Sarah F Andrews, Rogier W Sanders, Precise targeting of HIV broadly neutralizing antibody precursors in humans.. Science (New York, N.Y.), 389(6759), eadv5572-null, PMCID: 40373114 (2025). [doi: 10.1126/science.adv5572]

Tong Gao, Nicholas A. Maskalenko, Salvin Kabir, Kerry S. Campbell, Jinhua Wu, Molecular basis of β2 integrin activation by talin unveils subunit-specific mechanisms of integrin signaling. Cell Rep., 44(5), 115607 (2025). [doi: 10.1016/j.celrep.2025.115607]

Jaime C. Van Loon, François Le Mauff, Mario A. Vargas, Stephanie Gilbert, Roland Pfoh, Zachary A. Morrison, Erum Razvi, Mark Nitz, Donald C. Sheppard, P. Lynne Howell, Structural and functional analysis of Pseudomonas aeruginosa PelA provides insight into the modification of the Pel exopolysaccharide. J. Biol. Chem., 301(5), 108432 (2025). [doi: 10.1016/j.jbc.2025.108432]

High ImpactShagun Srivastava, Giridhar Sekar, Adedolapo Ojoawo, Anup Aggarwal, Elisabeth Ferreira, Emiko Uchikawa, Meek Yang, Christy R. Grace, Raja Dey, Yi-Lun Lin, Cristina D. Guibao, Seetharaman Jayaraman, Somnath Mukherjee, Anthony A. Kossiakoff, Bin Dong, Alexander Myasnikov, Tudor Moldoveanu, Structural basis of BAK sequestration by MCL-1 in apoptosis. Mol. Cell, 85(8), 1606-1623.e10 (2025). [doi: 10.1016/j.molcel.2025.03.013]

Trevor R. Melkonian, Nemanja Vuksanovic, Maria D. Person, Tzu-Yu Chen, Wei-chen Chang, Karen N. Allen, Christian P. Whitman, Beyond the β–α–β Fold: Characterization of a SnoaL Domain in the Tautomerase Superfamily. Biochemistry, 64(9), 1950-1962 (2025). [doi: 10.1021/acs.biochem.5c00051]

Jessica L. Fuller, Ke Shi, Steffen Pockes, Barry C. Finzel, Karen H. Ashe, Michael A. Walters, Reengineering of Circularly Permuted Caspase-2 to Enhance Enzyme Stability and Enable Crystallographic Studies. ACS Chem. Biol., 20(4), 845-857 (2025). [doi: 10.1021/acschembio.4c00795]

High ImpactJohn R. Horton, Meigen Yu, Jujun Zhou, Melody Tran, Rithvi R. Anakal, Yue Lu, Robert M. Blumenthal, Xiaotian Zhang, Yun Huang, Xing Zhang, Xiaodong Cheng, Multimeric transcription factor BCL11A utilizes two zinc-finger tandem arrays to bind clustered short sequence motifs. Nat. Comm., 16(1), 3672 (2025). [doi: 10.1038/s41467-025-58998-7]

High ImpactJingheng Wang, Stanley Nithianantham, Sergio C. Chai, Young-Hwan Jung, Lei Yang, Han Wee Ong, Yong Li, Yifan Zhang, Darcie J. Miller, Taosheng Chen, Decoding the selective chemical modulation of CYP3A4. Nat. Comm., 16(1), 3423 (2025). [doi: 10.1038/s41467-025-58749-8]

Michael R. Rankin, Dheeraj Khare, Lena Gerwick, David H. Sherman, William H. Gerwick, Janet L. Smith, Structure of a putative terminal amidation domain in natural product biosynthesis. Structure, 33(5), 935-947.e4 (2025). [doi: 10.1016/j.str.2025.02.005]

High ImpactNatasha M. Nesbitt, Gian Luca Araldi, Lisa Pennacchia, Natalia Marchenko, Zahra Assar, Kendall M. Muzzarelli, Rahul Raghavan Thekke Veedu, Brian Medel-Lacruz, Eunjeong Lee, Elan Z. Eisenmesser, Dale F. Kreitler, Wadie F. Bahou, Small molecule BLVRB redox inhibitor promotes megakaryocytopoiesis and stress thrombopoiesis in vivo. Nat. Comm., 16(1), 3480 (2025). [doi: 10.1038/s41467-025-58497-9]

Cited 1 timeAlexander M. Skeldon, Li Wang, Nicolas Sgarioto, Ramsay E. Beveridge, Silas Chan, Stephane Dorich, Valerie Dumais, Nadine Fradet, Samuel Gaudreault, Philippe LeGros, Daniel McKay, Ria Seliniotakis, Daniel V. Sietsema, Lingling Zhang, Marc-Olivier Boily, Jason D. Burch, Alex Caron, Lee D. Fader, Lodoe Lama, Wei Xie, Dinshaw J. Patel, Thomas Tuschl, Michael A. Crackower, Kelly A. Pike, Structural insight into the cGAS active site explains differences between therapeutically relevant species. Commun Chem, 8(1), 88 (2025). [doi: 10.1038/s42004-025-01481-7]

High ImpactCited 26 timesSusana Vázquez Torres, Melisa Benard Valle, Stephen P. Mackessy, Stefanie K. Menzies, Nicholas R. Casewell, Shirin Ahmadi, Nick J. Burlet, Edin Muratspahić, Isaac Sappington, Max D. Overath, Esperanza Rivera-de-Torre, Jann Ledergerber, Andreas H. Laustsen, Kim Boddum, Asim K. Bera, Alex Kang, Evans Brackenbrough, Iara A. Cardoso, Edouard P. Crittenden, Rebecca J. Edge, Justin Decarreau, Robert J. Ragotte, Arvind S. Pillai, Mohamad Abedi, Hannah L. Han, Stacey R. Gerben, Analisa Murray, Rebecca Skotheim, Lynda Stuart, Lance Stewart, Thomas J. A. Fryer, Timothy P. Jenkins, David Baker, De novo designed proteins neutralize lethal snake venom toxins. Nature, 639(8053), 225-231 (2025). [doi: 10.1038/s41586-024-08393-x]

Cited 1 timeAmy E. Kennedy, Adam H. Barczewski, Christina R. Arnoldy, J. Pepper Pennington, Kelly A. Tiernan, M. Beatriz Hidalgo, Caroline C. Reilly, Tanyawan Wongsri, Michael J. Ragusa, Gevorg Grigoryan, Dale F. Mierke, Maria Pellegrini, The structure of a NEMO construct engineered for screening reveals novel determinants of inhibition. Structure, 33(4), 691-704.e6 (2025). [doi: 10.1016/j.str.2025.01.010]

High ImpactCited 3 timesPaul C. Rosen, Samantha M. Horwitz, Daniel J. Brooks, Erica Kim, Joseph A. Ambarian, Lidia Waidmann, Katherine M. Davis, Gary Yellen, Paul C. Rosen, Samantha M. Horwitz, Daniel J. Brooks, Erica Kim, Joseph A. Ambarian, Lidia Waidmann, Katherine M. Davis, Gary Yellen, State- dependent motion of a genetically encoded fluorescent biosensor. Proc Natl Acad Sci USA, 122(10), e2426324122, PMCID: 40048274 (2025). [doi: 10.1073/pnas.2426324122]

High ImpactXugen Chen, Pan Fu, Karol Woloszyn, Yuemeng Zhang, Huanhuan Hu, Likai Hou, Xiaoyu Li, Jia Liu, Wenting Jiang, Lebing Wang, Simon Vecchioni, Yoel P. Ohayon, Ruojie Sha, Jianping Zheng, Feng Zhou, Precision Self-assembly of 3D DNA Crystals Using Microfluidics. J. Am. Chem. Soc., 147(14), 11915-11924 (2025). [doi: 10.1021/jacs.4c17455]

High ImpactCited 3 timesCherrelle Dacon, Re’em Moskovitz, Kristian Swearingen, Lais Da Silva Pereira, Yevel Flores-Garcia, Maya Aleshnick, Sachie Kanatani, Barbara Flynn, Alvaro Molina-Cruz, Kurt Wollenberg, Maria Traver, Payton Kirtley, Lauren Purser, Marlon Dillon, Brian Bonilla, Adriano Franco, Samantha Petros, Jake Kritzberg, Courtney Tucker, Gonzalo Gonzalez Paez, Priya Gupta, Melanie J. Shears, Joseph Pazzi, Joshua M. Edgar, Andy A. Teng, Arnel Belmonte, Kyosuke Oda, Safiatou Doumbo, Ludmila Krymskaya, Jeff Skinner, Shanping Li, Suman Ghosal, Kassoum Kayentao, Aissata Ongoiba, Ashley Vaughan, Joseph J. Campo, Boubacar Traore, Carolina Barillas-Mury, Wathsala Wijayalath, Azza Idris, Peter D. Crompton, Photini Sinnis, Brandon K. Wilder, Fidel Zavala, Robert A. Seder, Ian A. Wilson, Joshua Tan, Cherrelle Dacon, Re'em Moskovitz, Kristian Swearingen, Lais Da Silva Pereira, Yevel Flores-Garcia, Maya Aleshnick, Sachie Kanatani, Barbara Flynn, Alvaro Molina-Cruz, Kurt Wollenberg, Maria Traver, Payton Kirtley, Lauren Purser, Marlon Dillon, Brian Bonilla, Adriano Franco, Samantha Petros, Jake Kritzberg, Courtney Tucker, Gonzalo Gonzalez Paez, Priya Gupta, Melanie J. Shears, Joseph Pazzi, Joshua M. Edgar, Andy A. Teng, Arnel Belmonte, Kyosuke Oda, Safiatou Doumbo, Ludmila Krymskaya, Jeff Skinner, Shanping Li, Suman Ghosal, Kassoum Kayentao, Aissata Ongoiba, Ashley Vaughan, Joseph J. Campo, Boubacar Traore, Carolina Barillas-Mury, Wathsala Wijayalath, Azza Idris, Peter D. Crompton, Photini Sinnis, Brandon K. Wilder, Fidel Zavala, Robert A. Seder, Ian A. Wilson, Joshua Tan, Protective antibodies target cryptic epitope unmasked by cleavage of malaria sporozoite protein. Science, 387(6729), eadr0510, PMCID: 39745947 (2025). [doi: 10.1126/science.adr0510]

Cited 2 timesRoy J. Rodriguez Carrero, Cody T. Lloyd, Janhavi Borkar, Shounak Nath, Liviu M. Mirica, Satish Nair, Squire J. Booker, William Metcalf, Roy J. Rodriguez Carrero, Cody T. Lloyd, Janhavi Borkar, Shounak Nath, Liviu M. Mirica, Satish Nair, Squire J. Booker, William Metcalf, Genetic and biochemical characterization of a radical SAM enzyme required for post-translational glutamine methylation of methyl-coenzyme M reductase. mBio, 16(2), PMCID: 39772843 (2025). [doi: 10.1128/mbio.03546-24]

High ImpactCited 2 timesPrakash Jadhav, Xueying Liang, Ahmadullah Ansari, Bin Tan, Haozhou Tan, Kan Li, Xiang Chi, Alexandra Ford, Francesc Xavier Ruiz, Eddy Arnold, Xufang Deng, Jun Wang, Design of quinoline SARS-CoV-2 papain-like protease inhibitors as oral antiviral drug candidates. Nat. Comm., 16(1), 1604 (2025). [doi: 10.1038/s41467-025-56902-x]

Matthew Egleston, Shridhar Bhat, A. Hasan Howlader, Mario A. Bianchet, Yi Liu, Laura Maria Lopez Rovira, Brandon Smith, Marc M. Greenberg, James T. Stivers, Inhibitors of SAMHD1 Obtained from Chemical Tethering to the Guanine Antiviral Acyclovir. Biochemistry, 64(5), 1109-1120 (2025). [doi: 10.1021/acs.biochem.4c00854]

High ImpactCited 29 timesAnna Lauko, Samuel J. Pellock, Kiera H. Sumida, Ivan Anishchenko, David Juergens, Woody Ahern, Jihun Jeung, Andrew Hunt, Indrek Kalvet, Christoffer Norn, Ian R. Humphreys, Cooper Jamieson, Rohith Krishna, Yakov Kipnis, Alex Kang, Evans Brackenbrough, Asim K. Bera, Banumathi Sankaran, K. N. Houk, David Baker, Alexander F. Shida, Anna Lauko, Samuel J. Pellock, Kiera H. Sumida, Ivan Anishchenko, David Juergens, Woody Ahern, Jihun Jeung, Alexander F. Shida, Andrew Hunt, Indrek Kalvet, Christoffer Norn, Ian R. Humphreys, Cooper Jamieson, Rohith Krishna, Yakov Kipnis, Alex Kang, Evans Brackenbrough, Asim K. Bera, Banumathi Sankaran, K. N. Houk, David Baker, Computational design of serine hydrolases. Science, 388(6744), eadu2454, PMCID: 39946508 (2025). [doi: 10.1126/science.adu2454]

High ImpactJuana Goulart Stollmaier, Briana Abigail R. Czarnecki, David W. Christianson, Mechanism-Based Inhibition of Histone Deacetylase 6 by a Selenocyanate Is Subject to Redox Modulation. J. Am. Chem. Soc., 147(8), 6373-6377 (2025). [doi: 10.1021/jacs.5c00157]

Cited 1 timeJohn D. Georgiades, Daniel A. Berkovich, Samuel R. McKee, Angela R. Smith, Banumathi Sankaran, Kelly N. Flentie, Carlos H. Castañeda, Daniel G. Grohmann, Ram Rohatgi, Carrie Lasky, Twila A. Mason, James E. Champine, Patricia A. Miller, Ute Möllmann, Garrett C. Moraski, Scott G. Franzblau, Marvin J. Miller, Christina L. Stallings, Joseph M. Jez, Bruce A. Hathaway, Timothy A. Wencewicz, Expanding the Landscape of Dual Action Antifolate Antibacterials through 2,4-Diamino-1,6-dihydro-1,3,5-triazines. ACS Infect. Dis., 11(3), 689-702 (2025). [doi: 10.1021/acsinfecdis.4c00768]

High ImpactCited 1 timeAnkur Garg, Kin Fan On, Yang Xiao, Elad Elkayam, Paolo Cifani, Yael David, Leemor Joshua-Tor, The molecular basis of Human FN3K mediated phosphorylation of glycated substrates. Nat. Comm., 16(1), 941 (2025). [doi: 10.1038/s41467-025-56207-z]

James F. Conley, Lauren E. Brown, James H. McNeely, Jerry Pelletier, John A. Porco, Karen N. Allen, Structural Basis for the Improved RNA Clamping of Amidino-Rocaglates to eIF4A1. ACS Omega, 10(6), 5795-5808 (2025). [doi: 10.1021/acsomega.4c09421]

High ImpactZachary Kostamo, Manuel A. Ortega, Chavonna Xu, Patricia R. Feliciano, Elizabeth Budak, Daisy Lam, Valerie Winton, Rebecca Jenkins, Archita Venugopal, Margaret Zhang, John Jamieson, Brent Coisman, Kennedy Goldsborough, Britney Hernandez, Celeste K. Kanne, Erica N. Evans, Jordan Zgodny, Yankai Zhang, Jawa Darazim, Ashwin Patel, Michael A. Pendergast, John Manis, Adam J. Hartigan, Giuseppe Ciaramella, Seung-Joo Lee, S. Haihua Chu, Vivien A. Sheehan, Base editing HbS to HbG-Makassar improves hemoglobin function supporting its use in sickle cell disease. Nat. Comm., 16(1), 1441 (2025). [doi: 10.1038/s41467-025-56578-3]

Martin Y. Ng, Huanchen Wang, Haibo Zhang, Isabel Prucker, Lalith Perera, Ekaterina Goncharova, Antony Wamiru, Henning J. Jessen, Robin E. Stanley, Stephen B. Shears, Ji Luo, Brice A.P. Wilson, Barry R. O'Keefe, Biochemical and biophysical characterization of inositol-tetrakisphosphate 1-kinase inhibitors. J. Biol. Chem., 301(3), 108274 (2025). [doi: 10.1016/j.jbc.2025.108274]

Cited 2 timesArun K. Ghosh, Yueyi Chen, Ranjith Kumar Gadi, Amol Sonawane, Sandali Piladuwa Gamage, JohnJ.G. Tesmer, Design, synthesis, and X-ray structural studies of a series of highly potent, selective, and drug-like G protein-coupled receptor kinase 5 inhibitors. Eur. J. Med. Chem., 282, 117024 (2025). [doi: 10.1016/j.ejmech.2024.117024]

High ImpactCited 2 timesTing-Hui Lin, Chang-Chun David Lee, Monica L. Fernández-Quintero, James A. Ferguson, Julianna Han, Xueyong Zhu, Wenli Yu, Jenna J. Guthmiller, Florian Krammer, Patrick C. Wilson, Andrew B. Ward, Ian A. Wilson, Structurally convergent antibodies derived from different vaccine strategies target the influenza virus HA anchor epitope with a subset of VH3 and VK3 genes. Nat. Comm., 16(1), 1268 (2025). [doi: 10.1038/s41467-025-56496-4]

Cited 1 timeAriel J. Kuhn, Victor K. Outlaw, Tara C. Marcink, Zhen Yu, Megan C. Mears, Maria N. Cajimat, Dale F. Kreitler, Payton R. Cleven, Jee Ching Mook, Dennis A. Bente, Matteo Porotto, Samuel H. Gellman, Anne Moscona, Ariel J. Kuhn, Victor K. Outlaw, Tara C. Marcink, Zhen Yu, Megan C. Mears, Maria N. Cajimat, Dale F. Kreitler, Payton R. Cleven, Jee Ching Mook, Dennis A. Bente, Matteo Porotto, Samuel H. Gellman, Anne Moscona, Enhancing the solubility of SARS-CoV-2 inhibitors to increase future prospects for clinical development. J. Virology, 99(3), PMCID: 39902960 (2025). [doi: 10.1128/jvi.02159-24]

Herbert J. Bernstein, Alexei S. Soares, Kimberly Horvat, Jean Jakoncic, Massive compression for high data rate macromolecular crystallography (HDRMX): impact on diffraction data and subsequent structural analysis. J. Synch. Rad., 32(2), 385-398 (2025). [doi: 10.1107/S1600577525000396]

Andrew G. Wagner, Thomas B. D. Lang, Edward T. Ledingham, Agnidipta Ghosh, Donovan Brooks, Roozbeh Eskandari, Kajitha Suthagar, Steven C. Almo, Farah Lamiable-Oulaidi, Peter C. Tyler, Vern L. Schramm, Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms. J. Med. Chem., 68(3), 3653-3672 (2025). [doi: 10.1021/acs.jmedchem.4c02778]

Jessica R. Kenneson, Christina Papini, Su Tang, Kathy Huynh, Chun-Hui Zhang, William L. Jorgensen, Karen S. Anderson, Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M^pro) with Noncovalent Preclinical Candidate, Mpro61. ACS Bio Med Chem Au, 5(1), 215-226 (2025). [doi: 10.1021/acsbiomedchemau.4c00109]

Angel D'Oliviera, Xuhang Dai, Saba Mottaghinia, Sophie Olson, Evan P Geissler, Lucie Etienne, Yingkai Zhang, Jeffrey S Mugridge, Recognition and cleavage of human tRNA methyltransferase TRMT1 by the SARS-CoV-2 main protease. eLIfe, 12, RP91168 (2025). [doi: 10.7554/eLife.91168.3]

High ImpactCited 2 timesHengrui Liu, Arie Zask, Farhad Forouhar, Sho Iketani, Alana Williams, Daniel R. Vaz, Dahlya Habashi, Karenna Choi, Samuel J. Resnick, Seo Jung Hong, David H. Lovett, Tian Bai, Alejandro Chavez, David D. Ho, Brent R. Stockwell, Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening. Nat. Comm., 16(1), 152 (2025). [doi: 10.1038/s41467-024-55421-5]

High ImpactPaul Seth, Eric Xing, Andrew D Hendrickson, Kevin Li, Robert Monsen, Jonathan B Chaires, Stephen Neidle, Liliya A Yatsunyk, Paul Seth, Eric Xing, Andrew D. Hendrickson, Kevin Li, Robert Monsen, Jonathan B. Chaires, Stephen Neidle, Liliya A. Yatsunyk, Interaction of N-methylmesoporphyrin IX with a hybrid left-/right-handed G-quadruplex motif from the promoter of the SLC2A1 gene. Nucleic Acids Res., 53(2), PMCID: 39704129 (2025). [doi: 10.1093/nar/gkae1208]

You Hu, Marshall Jaroch, Guangxin Sun, Peter C. Dedon, Valérie de Crécy-Lagard, Steven D. Bruner, Mechanism of Catalysis and Substrate Binding of Epoxyqueuosine Reductase in the Biosynthetic Pathway to Queuosine-Modified tRNA. Biochemistry, 64(2), 458-467 (2025). [doi: 10.1021/acs.biochem.4c00524]

Angel D'Oliviera, Xuhang Dai, Saba Mottaghinia, Sophie Olson, Evan P. Geissler, Lucie Etienne, Yingkai Zhang, Jeffrey S. Mugridge, Recognition and cleavage of human tRNA methyltransferase TRMT1 by the SARS-CoV-2 main protease. eLIfe, 13, RP91168, PMCID: 39773525 (2024). [doi: 10.7554/ELIFE.91168]

Yi Zhang, Miso Park, Lucy Y. Ghoda, Dandan Zhao, Melissa Valerio, Ebtesam Nafie, Asaul Gonzalez, Kevin Ly, Bea Parcutela, Hyeran Choi, Xubo Gong, Fang Chen, Kaito Harada, Zhenhua Chen, Le Xuan Truong Nguyen, Flavia Pichiorri, Jianjun Chen, Joo Song, Stephen J. Forman, Idoroenyi Amanam, Bin Zhang, Jie Jin, John C. Williams, Guido Marcucci, IL1RAP-specific T cell engager depletes acute myeloid leukemia stem cells. JOURNAL OF HEMATOLOGY & ONCOLOGY, 17(1), 67, PMCID: 39143574 (2024). [doi: 10.1186/s13045-024-01586-x]

High Impact Daniel C. Scott, Suresh Dharuman, Elizabeth Griffith, Sergio C. Chai, Jarrid Ronnebaum, Moeko T. King, Rajendra Tangallapally, Chan Lee, Clifford T. Gee, Lei Yang, Yong Li, Victoria C. Loudon, Ha Won Lee, Jason Ochoada, Darcie J. Miller, Thilina Jayasinghe, Joao A. Paulo, Stephen J. Elledge, J. Wade Harper, Taosheng Chen, Richard E. Lee, Brenda A. Schulman, Principles of paralog-specific targeted protein degradation engaging the C-degron E3 KLHDC2. Nat. Comm., 15(1), 8829, PMCID: 39396041 (2024). [doi: 10.1038/s41467-024-52966-3]

Adama Sidibe, Vasyl V. Mykuliak, Pingfeng Zhang, Vesa P. Hytonen, Jinhua Wu, Bernhard Wehrle-Haller, Article Acetyl-NPKY of integrin-131 binds KINDLIN2 to control endothelial cell proliferation and junctional integrity. iScience, 27(6), 110129, PMCID: 38904068 (2024). [doi: 10.1016/j.isci.2024.110129]

Cited 4 timesNian E. Zhou, Su Tang, Xuelin Bian, Maloy K. Parai, Inna V. Krieger, Armando Flores, Pradeep K. Jaiswal, Radha Bam, Jeremy L. Wood, Zhe Shi, Laura J. Stevens, Trevor Scobey, Meghan V. Diefenbacher, Fernando R. Moreira, Thomas J. Baric, Arjun Acharya, Joonyoung Shin, Manish M. Rathi, Karen C. Wolff, Laura Riva, Malina A. Bakowski, Case W. McNamara, Nicholas J. Catanzaro, Rachel L. Graham, David C. Schultz, Sara Cherry, Yoshihiro Kawaoka, Peter J. Halfmann, Ralph S. Baric, Mark R. Denison, Timothy P. Sheahan, James C. Sacchettini, An oral non-covalent non-peptidic inhibitor of SARS-CoV-2 Mpro ameliorates viral replication and pathogenesis in vivo. Cell Rep., 43(11), 114929 (2024). [doi: 10.1016/j.celrep.2024.114929]

High ImpactCited 4 timesJameson R Averill, Jackson C Lin, John Jung, Hunmin Jung, Novel insights into the role of translesion synthesis polymerase in DNA incorporation and bypass of 5-fluorouracil in colorectal cancer. Nucleic Acids Res., 52(8), 4295-4312 (2024). [doi: 10.1093/nar/gkae102]

Cited 12 timesJulia M. Flynn, Sarah N. Zvornicanin, Tenzin Tsepal, Ala M. Shaqra, Nese Kurt Yilmaz, Weiping Jia, Stephanie Moquin, Dustin Dovala, Celia A. Schiffer, Daniel N. A. Bolon, Contributions of Hyperactive Mutations in M^pro from SARS-CoV-2 to Drug Resistance. ACS Infect. Dis., 10(4), 1174-1184 (2024). [doi: 10.1021/acsinfecdis.3c00560]

Cited 1 timeZeyaul Islam, Nishant N. Vaikath, Issam Hmila, Omar M. A. El‐Agnaf, Prasanna R. Kolatkar, Zeyaul Islam, Nishant N. Vaikath, Issam Hmila, Omar M. A. El-Agnaf, Prasanna R. Kolatkar, Structural insights into the unique recognition module between α-synuclein peptide and nanobody. Protein Sci., 33(2), e4875, PMCID: 38105512 (2024). [doi: 10.1002/pro.4875]

High ImpactCited 1 timeSimon Vecchioni, Yoel P. Ohayon, Carina Hernandez, Shuichi Hoshika, Chengde Mao, Steven A. Benner, Ruojie Sha, Six-Letter DNA Nanotechnology: Incorporation of Z-P Base Pairs into Self-Assembling 3D Crystals. Nano Lett., 24(45), 14302-14306 (2024). [doi: 10.1021/acs.nanolett.4c03949]

Cited 3 timesBo Wang, Amy E. Solinski, Matthew I. Radle, Olivia M. Peduzzi, Hayley L. Knox, Jiayuan Cui, Ravi K. Maurya, Neela H. Yennawar, Squire J. Booker, Structural Evidence for DUF512 as a Radical S-Adenosylmethionine Cobalamin-Binding Domain. ACS Bio Med Chem Au, 4(6), 319-330 (2024). [doi: 10.1021/acsbiomedchemau.4c00067]

Cited 1 timePatrick Cyr, Lee D. Fader, Jason D. Burch, Kelly A. Pike, Daniel V. Sietsema, Marc-Olivier Boily, Stéphane Ciblat, Nicolas Sgarioto, Alexander M. Skeldon, Samuel Gaudreault, Philippe Le Gros, Valérie Dumais, Daniel J. J. McKay, Nathan S. Abraham, Ria Seliniotakis, Ramsay E. Beveridge, Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization. ACS Med. Chem. Lett., 15(12), 2201-2209 (2024). [doi: 10.1021/acsmedchemlett.4c00471]

High ImpactSusu He, Noor M Taher, Adam R Simard, Kelli L Hvorecny, Michael J Ragusa, Christopher D Bahl, Alison B Hickman, Fred Dyda, Dean R Madden, Molecular basis for the transcriptional regulation of an epoxide-based virulence circuit in Pseudomonas aeruginosa. Nucleic Acids Res., 52(20), 12727-12747 (2024). [doi: 10.1093/NAR/GKAE889]

Cited 4 timesFu-Chun Hsueh, Ke Shi, Alise Mendoza, Fan Bu, Wei Zhang, Hideki Aihara, Fang Li, Structural basis for raccoon dog receptor recognition by SARS-CoV-2. Plos Pathog., 20(5), e1012204 (2024). [doi: 10.1371/journal.ppat.1012204]

Cited 4 timesWeiping Huang, Chetana Baliga, Elena V Aleksandrova, Gemma Atkinson, Yury S Polikanov, Nora Vázquez-Laslop, Alexander S Mankin, Activity, structure, and diversity of Type II proline-rich antimicrobial peptides from insects. EMBO Rep., 25(11), 5194-5211 (2024). [doi: 10.1038/s44319-024-00277-5]

Cited 1 timeBryce A. Harrison, James E. Dowling, Matthew G. Bursavich, Dawn M. Troast, Katherine M. Chong, Kristopher N. Hahn, Cheng Zhong, Kristen M. Mulvihill, Hanh Nguyen, Meghan F. Monroy, Qi Qiao, Brian Sosa, Siavash Mostafavi, Inese Smukste, Dooyoung Lee, Laura Cappellucci, Elizabeth H. Konopka, Patrycja Nowakowski, Lukasz Stawski, Mayra Senices, Minh Hai Nguyen, Parmita S. Kapoor, Lia Luus, Andrew Sullivan, Andrea Bortolato, Mats Svensson, Eugene R. Hickey, Kyle D. Konze, Tyler Day, Byungchan Kim, Ana Negri, Aleksey I. Gerasyuto, Terence I. Moy, Min Lu, Adrian S. Ray, Liangsu Wang, Dan Cui, Fu-Yang Lin, Blaise Lippa, Bruce N. Rogers, The Discovery of MORF-627, a Highly Selective Conformationally-Biased Zwitterionic Integrin αvβ6 Inhibitor for Fibrosis. J. Med. Chem., 67(21), 18656-18681 (2024). [doi: 10.1021/acs.jmedchem.4c01851]

High ImpactCited 6 timesWyatt B. Larrinaga, Jonathan J. Jung, Chi-Yun Lin, Amie K. Boal, Joseph A. Cotruvo, Wyatt B. Larrinaga, Jonathan J. Jung, Chi-Yun Lin, Amie K. Boal, Joseph A. Cotruvo, Modulating metal- centered dimerization of a lanthanide chaperone protein for separation of light lanthanides. Proc Natl Acad Sci USA, 121(45), e2410926121, PMCID: 39467132 (2024). [doi: 10.1073/pnas.2410926121]

Magdalena C. DiGiorno, Nisansala Vithanage, Clara G. Victorio, Dale F. Kreitler, Victor K. Outlaw, Nicholas Sawyer, Structural Characterization of Disulfide-Linked p53-Derived Peptide Dimers. In J Pept Res Ther, 30(6), 68 (2024). [doi: 10.1007/s10989-024-10651-5]

Fangfang Zhong, Morgan E. Reik, Michael J. Ragusa, Ekaterina V. Pletneva, The structure of the diheme cytochrome c4 from Neisseria gonorrhoeae reveals multiple contributors to tuning reduction potentials. J. Inorg. Biochem., 253, 112496 (2024). [doi: 10.1016/j.jinorgbio.2024.112496]

High ImpactCited 2 timesRichard Quintana-Feliciano, Jithesh Kottur, Mi Ni, Rikhia Ghosh, Leslie Salas-Estrada, Goran Ahlsen, Olga Rechkoblit, Lawrence Shapiro, Marta Filizola, Gang Fang, Aneel K. Aggarwal, Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation. Nat. Comm., 15(1), 7839 (2024). [doi: 10.1038/s41467-024-52130-x]

Ruby Sharma, Nitin P. Amdare, Agnidipta Ghosh, Jennifer Schloss, John Sidney, Scott J. Garforth, Yessenia Lopez, Alev Celikgil, Alessandro Sette, Steven C. Almo, Teresa P. DiLorenzo, Structural and biochemical analysis of highly similar HLA-B allotypes differentially associated with type 1 diabetes. J. Biol. Chem., 300(9), 107702 (2024). [doi: 10.1016/j.jbc.2024.107702]

Cited 8 timesElissa K. Leonard, Jakub Tomala, Joseph R. Gould, Michael I. Leff, Jian-Xin Lin, Peng Li, Mitchell J. Porter, Eric R. Johansen, Ladaisha Thompson, Shanelle D. Cao, Shenda Hou, Tereza Henclova, Maros Huliciak, Paul R. Sargunas, Charina S. Fabilane, Ondřej Vaněk, Marek Kovar, Bohdan Schneider, Giorgio Raimondi, Warren J. Leonard, Jamie B. Spangler, Jian-Xin Li, Ondrej Vanek, Engineered cytokine/antibody fusion proteins improve IL-2 delivery to pro-inflammatory cells and promote antitumor activity, 9(18), e173469, PMCID: 39115939 (2024). [doi: 10.1172/jci.insight.173469]

High ImpactCited 1 timeRuoxi Wu, Shakti Ingle, Sarah A Barnes, Heather R Dahlin, Susmita Khamrui, Yufei Xiang, Yi Shi, David H Bechhofer, Michael B Lazarus, Ruoxi Wu, Shakti Ingle, Sarah A. Barnes, Heather R. Dahlin, Susmita Khamrui, Yufei Xiang, Yi Shi, David H. Bechhofer, Michael B. Lazarus, Structural insights into RNA cleavage by a novel family of bacterial RNases. Nucleic Acids Res., 52(17), 10705-10716, PMCID: 39180400 (2024). [doi: 10.1093/nar/gkae717]

Cited 5 timesJames K. Fields, Elin Jaensson Gyllenbäck, Marek Bogacz, Juliet Obi, Gabriel Svensson Birkedal, Kjell Sjöström, Kino Maravillas, Caitríona Grönberg, Sara Rattik, Kyle Kihn, Maria Flowers, Ally K. Smith, Nils Hansen, Thoas Fioretos, Chau Huyhn, David Liberg, Daniel Deredge, Eric J. Sundberg, Antibodies targeting the shared cytokine receptor IL-1 receptor accessory protein invoke distinct mechanisms to block all cytokine signaling. Cell Rep., 43(5), 114099 (2024). [doi: 10.1016/j.celrep.2024.114099]

High ImpactCited 5 timesKevin A. DAmico, Abigail E. Stanton, Jaden D. Shirkey, Sophie M. Travis, Philip D. Jeffrey, Frederick M. Hughson, Structure of a membrane tethering complex incorporating multiple SNAREs. Nat Struct Mol Biol, 31(2), 246-254 (2024). [doi: 10.1038/s41594-023-01164-8]

Ruoxi Wu, Susmita Khamrui, Tetyana Dodatko, João Leandro, Amanda Sabovic, Sara Violante, Justin R. Cross, Eric Marsan, Kunal Kumar, Robert J. DeVita, Michael B. Lazarus, Sander M. Houten, Characterization, Structure, and Inhibition of the Human Succinyl-CoA:glutarate-CoA Transferase, a Putative Genetic Modifier of Glutaric Aciduria Type 1. ACS Chem. Biol., 19(7), 1544-1553 (2024). [doi: 10.1021/acschembio.4c00204]

High ImpactCited 9 timesLinna An, Meerit Said, Long Tran, Sagardip Majumder, Inna Goreshnik, Gyu Rie Lee, David Juergens, Justas Dauparas, Ivan Anishchenko, Brian Coventry, Asim K. Bera, Alex Kang, Paul M. Levine, Valentina Alvarez, Arvind Pillai, Christoffer Norn, David Feldman, Dmitri Zorine, Derrick R. Hicks, Xinting Li, Mariana Garcia Sanchez, Dionne K. Vafeados, Patrick J. Salveson, Anastassia A. Vorobieva, David Baker, Binding and sensing diverse small molecules using shape-complementary pseudocycles. Science, 385(6706), 276-282 (2024). [doi: 10.1126/science.adn3780]

High ImpactCited 4 timesWilliam C. Simke, Morgan E. Walker, Logan A. Calderone, Andrew T. Putz, Jon B. Patteson, Caitlin N. Vitro, Cynthia F. Zizola, Matthew R. Redinbo, Maria-Eirini Pandelia, Tyler L. Grove, Bo Li, Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme. ACS Central Sci., 10(8), 1524-1536 (2024). [doi: 10.1021/acscentsci.4c00015]

High ImpactCited 7 timesJithesh Kottur, Radhika Malik, Aneel K. Aggarwal, Nucleic acid mediated activation of a short prokaryotic Argonaute immune system. Nat. Comm., 15(1), 4852 (2024). [doi: 10.1038/S41467-024-49271-4]

Cited 2 timesTyler N. Vernon, J. Ross Terrell, Amanda V. Albrecht, Markus W. Germann, W. David Wilson, Gregory M.K. Poon, Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors. Structure, 32(1), 83-96.e4 (2024). [doi: 10.1016/J.STR.2023.11.003]

High ImpactCited 12 timesJ. Ross Terrell, Thao T. Le, Ananya Paul, Margo A. Brinton, W. David Wilson, Gregory M. K. Poon, Markus W. Germann, Jessica L. Siemer, Structure of an RNA G-quadruplex from the West Nile virus genome. Nat. Comm., 15(1), 5428 (2024). [doi: 10.1038/s41467-024-49761-5]

Cited 11 timesQingrong He, Cheng Wang, Rohit Jain, James Byrnes, Erik R. Farquhar, Elliot Reed, Elizabeth Berezovsky, Mark R. Chance, David Lodowski, Ran An, An engineered lactate oxidase based electrochemical sensor for continuous detection of biomarker lactic acid in human sweat and serum. Heliyon, 10(14), e34301 (2024). [doi: 10.1016/j.heliyon.2024.e34301]

Cited 3 timesAdama Sidibé, Vasyl V. Mykuliak, Pingfeng Zhang, Vesa P. Hytönen, Jinhua Wu, Bernhard Wehrle-Haller, Acetyl-NPKY of integrin-β1 binds KINDLIN2 to control endothelial cell proliferation and junctional integrity. iScience, 27(6), 110129 (2024). [doi: 10.1016/j.isci.2024.110129]

Cited 3 timesHerbert Bernstein, Jean Jakoncic, <div id="atl"><h2>Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments</h2></div>. J. Synch. Rad., 31(4) (2024). [doi: 10.1107/S160057752400359X]

High ImpactCited 5 timesShujuan Gao, Jake W. Carrasquillo Rodríguez, Shirin Bahmanyar, Michael V. Airola, Shujuan Gao, Jake W. Carrasquillo Rodriguez, Shirin Bahmanyar, Michael V. Airola, Structure and mechanism of the human CTDNEP1-NEP1R1 membrane protein phosphatase complex necessary to maintain ER membrane morphology. Proc Natl Acad Sci USA, 121(22), e2321167121, PMCID: 38776370 (2024). [doi: 10.1073/pnas.2321167121]

Cited 2 timesNimesha Rajapaksha, Huili Yao, Aisha Cook, Steve Seibold, Lijun Liu, Kevin P. Battaile, Leo Fontenot, Fabrizio Donnarumma, Scott Lovell, Mario Rivera, Nimesha Rajapaksha, Huili Yao, Aisha Cook, Steve Seibold, Lijun Liu, Kevin P. Battaile, Leo Fontenot, Fabrizio Donnarumma, Scott Lovell, Mario Rivera, Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity. Front. Mol. Biosci., 11, 1390745, PMCID: 38841187 (2024). [doi: 10.3389/fmolb.2024.1390745]

High ImpactCited 13 timesShuai Wu, Sandra B. Gabelli, Jungsan Sohn, The structural basis for 2′−5′/3′−5′-cGAMP synthesis by cGAS. Nat. Comm., 15(1), 4012 (2024). [doi: 10.1038/s41467-024-48365-3]

High ImpactCited 6 timesAlexandra M. D’Ordine, Gerwald Jogl, John M. Sedivy, Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease. Nat. Comm., 15(1), 3883 (2024). [doi: 10.1038/s41467-024-48066-x]

High ImpactCited 5 timesHaixiang Yu, Shekhar Kumar, James W. Frederiksen, Vladimir N. Kolyadko, George Pitoc, Juliana Layzer, Amy Yan, Rachel Rempel, Samuel Francis, Sriram Krishnaswamy, Bruce A. Sullenger, Aptameric hirudins as selective and reversible EXosite-ACTive site (EXACT) inhibitors. Nat. Comm., 15(1), 3977 (2024). [doi: 10.1038/s41467-024-48211-6]

High ImpactCited 12 timesEfren Garcia-Maldonado, Andrew D. Huber, Sergio C. Chai, Stanley Nithianantham, Yongtao Li, Jing Wu, Shyaron Poudel, Darcie J. Miller, Jayaraman Seetharaman, Taosheng Chen, Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat. Comm., 15(1), 4054 (2024). [doi: 10.1038/s41467-024-48472-1]

Jun Wang, Enabling Research and Innovation by Industry at National Synchrotron Light Source-II. Synch. Rad. News, 37(2), 4-9 (2024). [doi: 10.1080/08940886.2024.2329038]

Cited 2 timesJianxiang Dong, Zhaozheng Yin, Dale Kreitler, Herbert J. Bernstein, Jean Jakoncic, Bragg Spot Finder (BSF): a new machine-learning-aided approach to deal with spot finding for rapidly filtering diffraction pattern images. J. Appl. Cryst., 57(3), 670-680 (2024). [doi: 10.1107/S1600576724002450]

High ImpactCited 2 timesWilliam M. Marsiglia, Arthur Chow, Zaigham M. Khan, Liu He, Arvin C. Dar, Live-cell target engagement of allosteric MEKi on MEK–RAF/KSR–14-3-3 complexes. Nat. Chem. Biol., 20(3), 373-381 (2024). [doi: 10.1038/s41589-023-01454-8]

J. Boorman, X. Zeng, J. Lin, F. van den Akker, J. Boorman, X. Zeng, J. Lin, F. van den Akker, Structural insights into peptidoglycan glycosidase EtgA binding to the inner rod protein EscI of the type III secretion system via a designed EscI-EtgA fusion protein. Protein Sci., 33(3), e4930, PMCID: 38380768 (2024). [doi: 10.1002/pro.4930]

High ImpactCited 10 timesNicolas Grosjean, Estella F. Yee, Desigan Kumaran, Kriti Chopra, Macon Abernathy, Sandeep Biswas, James Byrnes, Dale F. Kreitler, Jan-Fang Cheng, Agnidipta Ghosh, Steven C. Almo, Masakazu Iwai, Krishna K. Niyogi, Himadri B. Pakrasi, Ritimukta Sarangi, Hubertus van Dam, Lin Yang, Ian K. Blaby, Crysten E. Blaby-Haas, A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria. Nat. Comm., 15(1), 3167 (2024). [doi: 10.1038/s41467-024-47486-z]

High ImpactCited 54 timesBin Tan, Xiaoming Zhang, Ahmadullah Ansari, Prakash Jadhav, Haozhou Tan, Kan Li, Ashima Chopra, Alexandra Ford, Xiang Chi, Francesc Xavier Ruiz, Eddy Arnold, Xufang Deng, Jun Wang, Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383(6690), 1434-1440 (2024). [doi: 10.1126/science.adm9724]

Cited 2 timesSamuel A. Eaton, David W. Christianson, Structure-Based Engineering of a Sesquiterpene Cyclase to Generate an Alcohol Product: Conversion of epi-Isozizaene Synthase into α-Bisabolol Synthase. Biochemistry, 63(6), 797-805 (2024). [doi: 10.1021/acs.biochem.3c00681]

High ImpactCited 367 timesRohith Krishna, Jue Wang, Woody Ahern, Pascal Sturmfels, Preetham Venkatesh, Indrek Kalvet, Gyu Rie Lee, Felix S. Morey-Burrows, Ivan Anishchenko, Ian R. Humphreys, Ryan McHugh, Dionne Vafeados, Xinting Li, George A. Sutherland, Andrew Hitchcock, C. Neil Hunter, Alex Kang, Evans Brackenbrough, Asim K. Bera, Minkyung Baek, Frank DiMaio, David Baker, Rohith Krishna, Jue Wang, Woody Ahern, Pascal Sturmfels, Preetham Venkatesh, Indrek Kalvet, Gyu Rie Lee, Felix S. Morey-Burrows, Ivan Anishchenko, Ian R. Humphreys, Ryan Mchugh, Dionne Vafeados, Xinting Li, George A. Sutherland, Andrew Hitchcock, C. Neil Hunter, Alex Kang, Evans Brackenbrough, Asim K. Bera, Minkyung Baek, Frank Dimaio, David Baker, Generalized biomolecular modeling and design with RoseTTAFold All-Atom. Science, 384(6693), eadl2528, PMCID: 38452047 (2024). [doi: 10.1126/science.adl2528]

Cited 6 timesJohn M. Ketcham, Stephen J. Harwood, Ruth Aranda, Athenea N. Aloiau, Briana M. Bobek, David M. Briere, Aaron C. Burns, Kersti Caddell Haatveit, Andrew Calinisan, Jeffery Clarine, Adam Elliott, Lars D. Engstrom, Robin J. Gunn, Anthony Ivetac, Benjamin Jones, Jon Kuehler, J. David Lawson, Natalie Nguyen, Cody Parker, Kelly E. Pearson, Lisa Rahbaek, Barbara Saechao, Xiaolun Wang, Anna Waters, Laura Waters, Ashlee H. Watkins, Peter Olson, Christopher R. Smith, James G. Christensen, Matthew A. Marx, Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3Kα Mutant Protein. J. Med. Chem., 67(6), 4936-4949 (2024). [doi: 10.1021/acs.jmedchem.4c00078]

High ImpactCited 17 timesErin Skeens, Souvik Sinha, Mohd Ahsan, Alexandra M. D’Ordine, Gerwald Jogl, Giulia Palermo, George P. Lisi, Erin Skeens, Souvik Sinha, Mohd Ahsan, Alexandra M. D'Ordine, Gerwald Jogl, Giulia Palermo, George P. Lisi, High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9. Sci. Adv., 10(10), eadl1045, PMCID: 38446895 (2024). [doi: 10.1126/sciadv.adl1045]

Cited 12 timesValerie W. Shurtleff, Mark E. Layton, Craig A. Parish, James J. Perkins, John D. Schreier, Yunyi Wang, Gregory C. Adam, Nadine Alvarez, Soheila Bahmanjah, Carolyn M. Bahnck-Teets, Christopher W. Boyce, Christine Burlein, Tamara D. Cabalu, Brian T. Campbell, Steven S. Carroll, Wonsuk Chang, Manuel de Lera Ruiz, Enriko Dolgov, John F. Fay, Nicholas G. Fox, Shih Lin Goh, Timothy J. Hartingh, Danielle M. Hurzy, Michael J. Kelly, Daniel J. Klein, Franca-Maria Klingler, Harini Krishnamurthy, Shalley Kudalkar, Todd W. Mayhood, Philip M. McKenna, Edward M. Murray, Debbie Nahas, Christopher C. Nawrat, Steven Park, Dongming Qian, Anthony J. Roecker, Vijeta Sharma, William D. Shipe, Jing Su, Robert V. Taggart, Quang Truong, Yin Wu, Xiaoyan Zhou, Ningning Zhuang, David S. Perlin, David B. Olsen, John A. Howe, John A. McCauley, Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J. Med. Chem., 67(5), 3935-3958 (2024). [doi: 10.1021/acs.jmedchem.3c02248]

High ImpactCited 4 timesAndrew D Huber, Shyaron Poudel, Jing Wu, Darcie J Miller, Wenwei Lin, Lei Yang, Monicah N Bwayi, Mary Ashley Rimmer, Rebecca R Florke Gee, Jayaraman Seetharaman, Sergio C Chai, Taosheng Chen, Andrew D. Huber, Shyaron Poudel, Jing Wu, Darcie J. Miller, Wenwei Lin, Lei Yang, Monicah N. Bwayi, Mary Ashley Rimmer, Rebecca R. Florke Gee, Jayaraman Seetharaman, Sergio C. Chai, Taosheng Chen, A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR. Nucleic Acids Res., 52(4), 1661-1676, PMCID: 38084912 (2024). [doi: 10.1093/nar/gkad1175]

Cited 4 timesKrishna P. Patel, Wen-Ting Chen, Léa Delbecq, Steven D. Bruner, Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides. Org. Lett., 26(6), 1138-1142 (2024). [doi: 10.1021/acs.orglett.3c04045]

Cited 5 timesJee Hoon Park, Rachel E. Reviello, Patrick J. Loll, Crystal structure of vancomycin bound to the resistance determinant <scp>D</scp>-alanine-<scp>D</scp>-serine. IUCrJ, 11(2), 133-139 (2024). [doi: 10.1107/S2052252524000289]

High ImpactCited 5 timesOlga Rechkoblit, Daniela Sciaky, Dale F. Kreitler, Angeliki Buku, Jithesh Kottur, Aneel K. Aggarwal, Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides. Nat Struct Mol Biol, 31(5), 767-776 (2024). [doi: 10.1038/s41594-024-01220-x]

Cited 5 timesPatrick J. Loll, Kimberly C. Grasty, David D. Shultis, Nicholas J. Guzman, Michael C. Wiener, Discovery and structural characterization of the D-box, a conserved TonB motif that couples an inner-membrane motor to outer-membrane transport. J. Biol. Chem., 300(3), 105723 (2024). [doi: 10.1016/j.jbc.2024.105723]

Cited 3 timesEve A. Maunders, Matthew W. Giles, Katherine Ganio, Bliss A. Cunningham, Vicki Bennett-Wood, Gregory B. Cole, Dixon Ng, Christine C. Lai, Stephanie L. Neville, Trevor F. Moraes, Christopher A. McDevitt, Aimee Tan, Eve A. Maunders, Matthew W. Giles, Katherine Ganio, Bliss A. Cunningham, Vicki Bennett-Wood, Gregory B. Cole, Dixon Ng, Christine C. Lai, Stephanie L. Neville, Trevor F. Moraes, Christopher A. McDevitt, Aimee Tan, Zinc acquisition and its contribution to Klebsiella pneumoniae virulence. Front. Cell. Infect. Microbiol., 13, 1322973, PMCID: 38249299 (2024). [doi: 10.3389/fcimb.2023.1322973]

High ImpactCited 14 timesJake C. Lachowicz, David Lennox-Hvenekilde, Nils Myling-Petersen, Bo Salomonsen, Gijs Verkleij, Carlos G. Acevedo-Rocha, Ben Caddell, Luisa S. Gronenberg, Steven C. Almo, Morten O. A. Sommer, Hans J. Genee, Tyler L. Grove, Discovery of a Biotin Synthase That Utilizes an Auxiliary 4Fe–5S Cluster for Sulfur Insertion. J. Am. Chem. Soc., 146(3), 1860-1873 (2024). [doi: 10.1021/jacs.3c05481]

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Cited 8 timesEdwin N. Ogbonna, Ananya Paul, Abdelbasset A. Farahat, J. Ross Terrell, Ekaterina Mineva, Victor Ogbonna, David W Boykin, W. David Wilson, X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. ACS Bio Med Chem Au, 3(4), 335-348 (2023). [doi: 10.1021/acsbiomedchemau.3c00002]

Cited 17 timesLaura Sinatra, Anja Vogelmann, Florian Friedrich, Margarita A. Tararina, Emilia Neuwirt, Arianna Colcerasa, Philipp König, Lara Toy, Talha Z. Yesiloglu, Sebastian Hilscher, Lena Gaitzsch, Niklas Papenkordt, Shiyang Zhai, Lin Zhang, Christophe Romier, Oliver Einsle, Wolfgang Sippl, Mike Schutkowski, Olaf Gross, Gerd Bendas, David W. Christianson, Finn K. Hansen, Manfred Jung, Matthias Schiedel, Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J. Med. Chem., 66(21), 14787-14814 (2023). [doi: 10.1021/ACS.JMEDCHEM.3C01385]

Cited 8 timesT. A. Alsenani, S. L. Viviani, K. M. Papp-Wallace, R. A. Bonomo, F. van den Akker, Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Ω loop-held deacylation water. Antimicrob. Agents Chemother., 67(10) (2023). [doi: 10.1128/AAC.00350-23]

High ImpactCited 10 timesOlena S. Tokareva, Kunhua Li, Tara L. Travaline, Ty M. Thomson, Jean-Marie Swiecicki, Mahmoud Moussa, Jessica D. Ramirez, Sean Litchman, Gregory L. Verdine, John H. McGee, Recognition and reprogramming of E3 ubiquitin ligase surfaces by α-helical peptides. Nat. Comm., 14(1), 6992 (2023). [doi: 10.1038/s41467-023-42395-z]

Cited 3 timesJameson R. Averill, Hunmin Jung, Mutagenic incorporation of inosine into DNA via T:I mismatch formation by human DNA polymerase eta (polη). Biochem. J., 480(9), 649-664 (2023). [doi: 10.1042/BCJ20230029]

High ImpactCited 5 timesChad R. Simmons, Alex Buchberger, Skylar J.W. Henry, Alexandra Novacek, Nour Eddine Fahmi, Tara MacCulloch, Nicholas Stephanopoulos, Hao Yan, Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J. Am. Chem. Soc., 145(48), 26075-26085 (2023). [doi: 10.1021/jacs.3c07802]

High ImpactCited 11 timesDebajit Dey, Enya Qing, Yanan He, Yihong Chen, Benjamin Jennings, Whitaker Cohn, Suruchi Singh, Lokesh Gakhar, Nicholas J. Schnicker, Brian G. Pierce, Julian P. Whitelegge, Balraj Doray, John Orban, Tom Gallagher, S. Saif Hasan, A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs. Nat. Comm., 14(1), 8358 (2023). [doi: 10.1038/s41467-023-44076-3]

Olivia Ariane Awaté, Structure-Function Relationships in HpuAB, the Gonococcal Bipartite TonB- dependent Transport System, PhD Thesis. Georgia State University, Atlanta (2023).

Cited 11 timesYi Sun, Tyler J. Florio, Sagar Gupta, Michael C. Young, Quinlen F. Marshall, Samuel E. Garfinkle, Georgia F. Papadaki, Hau V. Truong, Emily Mycek, Peiyao Li, Alvin Farrel, Nicole L. Church, Shereen Jabar, Matthew D. Beasley, Ben R. Kiefel, Mark Yarmarkovich, Leena Mallik, John M. Maris, Nikolaos G. Sgourakis, Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion. Sci. Immunol., 8(90), eadj5792 (2023). [doi: 10.1126/sciimmunol.adj5792]

Cited 1 timeKlarissa Hollander, Albert H. Chan, Kathleen M. Frey, Olivia Hunker, Joseph A. Ippolito, Krasimir A. Spasov, Yang‐Hui J. Yeh, William L. Jorgensen, Ya‐Chi Ho, Karen S. Anderson, Exploring novel HIV‐1 reverse transcriptase inhibitors with drug‐resistant mutants: A double mutant surprise. Protein Sci., 32(12), e4814 (2023). [doi: 10.1002/pro.4814]

Cited 3 timesGiavana R. Prucha, Sean Henry, Klarissa Hollander, Zachary J. Carter, Krasimir A. Spasov, William L. Jorgensen, Karen S. Anderson, Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur. J. Med. Chem., 262, 115894 (2023). [doi: 10.1016/j.ejmech.2023.115894]

Cited 9 timesElaine Thai, Rajagopal Murugan, Špela Binter, Clare Burn Aschner, Katherine Prieto, Audrey Kassardjian, Anna S. Obraztsova, Ryu Won Kang, Yevel Flores-Garcia, Shamika Mathis-Torres, Kan Li, Gillian Q. Horn, Richard H.C. Huntwork, Judith M. Bolscher, Marloes H.C. de Bruijni, Robert Sauerwein, S. Moses Dennison, Georgia D. Tomaras, Fidel Zavala, Paul Kellam, Hedda Wardemann, Jean-Philippe Julien, Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep., 42(11), 113330 (2023). [doi: 10.1016/j.celrep.2023.113330]

Cited 1 timeErik Klontz, Juliet O. Obi, Yajing Wang, Gabrielle Glendening, Jahid Carr, Constantine Tsibouris, Sahthi Buddula, Shreeram Nallar, Alexei S. Soares, Dorothy Beckett, Jasmina S. Redzic, Elan Eisenmesser, Cheyenne Palm, Katrina Schmidt, Alexis H. Scudder, Trinity Obiorah, Kow Essuman, Jeffrey Milbrandt, Aaron Diantonio, Krishanu Ray, Michelle L.D. Snyder, Daniel Deredge, Greg A. Snyder, The structure of NAD+ consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations. J. Biol. Chem., 299(11), 105290 (2023). [doi: 10.1016/j.jbc.2023.105290]

Cited 23 timesBeate König, Paris R. Watson, Nina Reßing, Abigail D. Cragin, Linda Schäker-Hübner, David W. Christianson, Finn K. Hansen, Difluoromethyl-1,3,4-oxadiazoles Are Selective, Mechanism-Based, and Essentially Irreversible Inhibitors of Histone Deacetylase 6. J. Med. Chem., 66(19), 13821-13837 (2023). [doi: 10.1021/acs.jmedchem.3c01345]

Zhen Yu, Dale F. Kreitler, Yin Ting T. Chiu, Ruiwen Xu, Austin T. Bruchs, Craig A. Bingman, Samuel H. Gellman, Harnessing Aromatic‐Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification. Angew. Chem., 135(40) (2023). [doi: 10.1002/ange.202308100]

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Cited 10 timesRajeshwer S. Sankhala, Vincent Dussupt, Gina Donofrio, Gregory D. Gromowski, Rafael A. De La Barrera, Rafael A. Larocca, Letzibeth Mendez-Rivera, Anna Lee, Misook Choe, Weam Zaky, Grace Mantus, Jaime L. Jensen, Wei-Hung Chen, Neelakshi Gohain, Hongjun Bai, Michael K. McCracken, Rosemarie D. Mason, David Leggat, Bonnie M. Slike, Ursula Tran, Ningbo Jian, Peter Abbink, Rebecca Peterson, Eric Araujo Mendes, Rafael Freitas de Oliveira Franca, Guilherme Amaral Calvet, Ana Maria Bispo de Filippis, Adrian McDermott, Mario Roederer, Mayda Hernandez, Amie Albertus, Edgar Davidson, Benjamin J. Doranz, Morgane Rolland, Merlin L. Robb, Rebecca M. Lynch, Dan H. Barouch, Richard G. Jarman, Stephen J. Thomas, Kayvon Modjarrad, Nelson L. Michael, Shelly J. Krebs, M. Gordon Joyce, Zika-specific neutralizing antibodies targeting inter-dimer envelope epitopes. Cell Rep., 42(8), 112942 (2023). [doi: 10.1016/j.celrep.2023.112942]

High ImpactCited 27 timesAlex Nazzaro, Brandon Lu, Nicholas Sawyer, Andrew M. Watkins, Paramjit S. Arora, Macrocyclic β‐Sheets Stabilized by Hydrogen Bond Surrogates. Angew. Chem. Int. Ed., 62(41), e202303943 (2023). [doi: 10.1002/anie.202303943]

High ImpactCited 6 timesAaron Gupta, Kevin S. Kao, Rachel Yamin, Deena A. Oren, Yehuda Goldgur, Jonathan Du, Pete Lollar, Eric J. Sundberg, Jeffrey V. Ravetch, Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody. Nat. Comm., 14(1), 2853 (2023). [doi: 10.1038/s41467-023-38453-1]

High ImpactCited 16 timesKatharine M. Wright, Sarah R. DiNapoli, Michelle S. Miller, P. Aitana Azurmendi, Xiaowei Zhao, Zhiheng Yu, Mayukh Chakrabarti, WuXian Shi, Jacqueline Douglass, Michael S. Hwang, Emily Han-Chung Hsiue, Brian J. Mog, Alexander H. Pearlman, Suman Paul, Maximilian F. Konig, Drew M. Pardoll, Chetan Bettegowda, Nickolas Papadopoulos, Kenneth W. Kinzler, Bert Vogelstein, Shibin Zhou, Sandra B. Gabelli, Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen. Nat. Comm., 14(1), 5063 (2023). [doi: 10.1038/s41467-023-40821-w]

High ImpactCited 4 timesZhen Yu, Dale F. Kreitler, Yin Ting T. Chiu, Ruiwen Xu, Austin T. Bruchs, Craig A. Bingman, Samuel H. Gellman, Harnessing Aromatic‐Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification. Angew. Chem. Int. Ed., 62(40), e202308100 (2023). [doi: 10.1002/anie.202308100]

Cited 3 timesTong Gao, Eun-ah Cho, Pingfeng Zhang, Jinhua Wu, Inhibition of talin-induced integrin activation by a double-hit stapled peptide. Structure, 31(8), 948-957.e3 (2023). [doi: 10.1016/j.str.2023.05.016]

Cited 6 timesJithesh Kottur, Kris M. White, M. Luis Rodriguez, Olga Rechkoblit, Richard Quintana-Feliciano, Ahana Nayar, Adolfo García-Sastre, Aneel K. Aggarwal, Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals. Plos Pathog., 19(7), e1011546 (2023). [doi: 10.1371/journal.ppat.1011546]

Cited 1 timeIda de Vries, Danique Ammerlaan, Tatjana Heidebrecht, Patrick HN Celie, Robbie P Joosten, Anastassis Perrakis, Daan P Geerke, Distant sequence regions of JBP1 contribute to J-DNA binding. Life Sci. Alliance, 6(9), e202302150 (2023). [doi: 10.26508/lsa.202302150]

Cited 10 timesClement Chan, Dixon Ng, Marie E. Fraser, Anthony B. Schryvers, Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens. BioMetals, 36(3), 683-702 (2023). [doi: 10.1007/s10534-022-00466-6]

High ImpactCited 3 timesFu-Lien Hsieh, Tao-Hsin Chang, Sandra B. Gabelli, Jeremy Nathans, Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein. Proc Natl Acad Sci USA, 120(20), e2217096120 (2023). [doi: 10.1073/pnas.2217096120]

Cited 5 timesJujun Zhou, John R. Horton, Gundeep Kaur, Qin Chen, Xuwen Li, Fabian Mendoza, Tao Wu, Robert M. Blumenthal, Xing Zhang, Xiaodong Cheng, Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga. J. Biol. Chem., 299(8), 105017 (2023). [doi: 10.1016/j.jbc.2023.105017]

Cited 9 timesJ. Ross Terrell, Samuel J. Taylor, Amelia L. Schneider, Yue Lu, Tyler N. Vernon, Suela Xhani, Ryan H. Gumpper, Ming Luo, W. David Wilson, Ulrich Steidl, Gregory M.K. Poon, DNA selection by the master transcription factor PU.1. Cell Rep., 42(7), 112671 (2023). [doi: 10.1016/j.celrep.2023.112671]

High ImpactCited 11 timesViet Q. Le, Bo Zhao, Siddanth Ramesh, Cameron Toohey, Adam DeCosta, Julian Mintseris, Xinyue Liu, Steven Gygi, Timothy A. Springer, A specialized integrin-binding motif enables proTGF-β2 activation by integrin αVβ6 but not αVβ8. Proc Natl Acad Sci USA, 120(24), e2304874120 (2023). [doi: 10.1073/pnas.2304874120]

Cited 4 timesMatthew Egleston, Linghao Dong, A. Hasan Howlader, Shridhar Bhat, Benjamin Orris, Mario A. Bianchet, Marc M. Greenberg, James T. Stivers, Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding. ACS Chem. Biol., 18(10), 2200-2210 (2023). [doi: 10.1021/acschembio.3c00118]

Cited 2 timesVijay Kumar, Jacob Boorman, William J. Greenlee, Ximin Zeng, Jun Lin, Focco van den Akker, Vijay Kumar, Jacob Boorman, William J. J. Greenlee, Ximin Zeng, Jun Lin, Focco van den Akker, Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds. Protein Sci., 32(7), e4683, PMCID: 37209283 (2023). [doi: 10.1002/pro.4683]

Cited 2 timesKeith Lange, Kathleen M. Frey, Tyler Eck, Cheryl A. Janson, Ueli Gubler, Nina M. Goodey, Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate. PLoS Negl Trop Dis, 17(4), e0011303 (2023). [doi: 10.1371/journal.pntd.0011303]

High ImpactCited 6 timesAndrea Piserchio, Kimberly J. Long, Luke S. Browning, Amanda L. Bohanon, Eta A. Isiorho, Kevin N. Dalby, Ranajeet Ghose, ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin. Proc Natl Acad Sci USA, 120(17), e2300902120 (2023). [doi: 10.1073/pnas.2300902120]

Cited 4 timesParis R. Watson, Suchetana Gupta, Parisa Hosseinzadeh, Benjamin P. Brown, David Baker, David W. Christianson, Macrocyclic Octapeptide Binding and Inferences on Protein Substrate Binding to Histone Deacetylase 6. ACS Chem. Biol., 18(4), 959-968 (2023). [doi: 10.1021/acschembio.3c00113]

High ImpactCited 3 timesZhuangyu Zhao, Mingyang Zhou, Serge D. Zemerov, Ronen Marmorstein, Ivan J. Dmochowski, Rational design of a genetically encoded NMR zinc sensor. Chem. Sci., 14(14), 3809-3815 (2023). [doi: 10.1039/D3SC00437F]

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Cited 1 timeYagmur Kan, YiTing Paung, Yunyoung Kim, Markus A. Seeliger, W. Todd Miller, Biochemical Studies of Systemic Lupus Erythematosus-Associated Mutations in Nonreceptor Tyrosine Kinases Ack1 and Brk. Biochemistry, 62(6), 1124-1137 (2023). [doi: 10.1021/acs.biochem.2c00685]

High ImpactCited 14 timesWenwei Lin, Andrew D. Huber, Shyaron Poudel, Yongtao Li, Jayaraman Seetharaman, Darcie J. Miller, Taosheng Chen, Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc Natl Acad Sci USA, 120(10), e2217804120 (2023). [doi: 10.1073/pnas.2217804120]

Cited 6 timesTahani A. Alsenani, María Margarita Rodríguez, Barbara Ghiglione, Magdalena A. Taracila, Maria F. Mojica, Laura J. Rojas, Andrea M. Hujer, Gabriel Gutkind, Christopher R. Bethel, Philip N. Rather, Maria Luisa Introvigne, Fabio Prati, Emilia Caselli, Pablo Power, Focco van den Akker, Robert A. Bonomo, Boronic Acid Transition State Inhibitors as Potent Inactivators of KPC and CTX-M β-Lactamases: Biochemical and Structural Analyses. Antimicrob. Agents Chemother., 67(1) (2023). [doi: 10.1128/aac.00930-22]

High ImpactCited 79 timesDieter K. Lam, Patricia R. Feliciano, Amena Arif, Tanggis Bohnuud, Thomas P. Fernandez, Jason M. Gehrke, Phil Grayson, Kin D. Lee, Manuel A. Ortega, Courtney Sawyer, Noah D. Schwaegerle, Leila Peraro, Lauren Young, Seung-Joo Lee, Giuseppe Ciaramella, Nicole M. Gaudelli, Improved cytosine base editors generated from TadA variants. Nat. Biotechnol., 41(5), 686-697 (2023). [doi: 10.1038/s41587-022-01611-9]

Edwin Ogbonna, The Application of X-ray Crystallography for Structural Information on DNA-Amidine Complexes and Detailed Examination of Minor Groove Structures of B-DNA, Thesis Thesis. Georgia State University, Atlanta (2023).

Cited 6 timesSamantha N. Muellers, Margarita A. Tararina, Uros Kuzmanovic, James E. Galagan, Karen N. Allen, Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase. Biochemistry, 62(3), 851-862 (2023). [doi: 10.1021/acs.biochem.2c00540]

Cited 7 timesGrant Eilers, Kushol Gupta, Audrey Allen, Saira Montermoso, Hemma Murali, Robert Sharp, Young Hwang, Frederic D. Bushman, Gregory Van Duyne, Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 Å resolution: Routes to inhibitor optimization. Plos Pathog., 19(3), e1011097 (2023). [doi: 10.1371/journal.ppat.1011097]

Cited 11 timesLynnea D. Harris, Michael C. Regan, Scott J. Myers, Kelsey A. Nocilla, Nicholas S. Akins, Yesim A. Tahirovic, Lawrence J. Wilson, Ray Dingledine, Hiro Furukawa, Stephen F. Traynelis, Dennis C. Liotta, Novel GluN2B-Selective NMDA Receptor Negative Allosteric Modulator Possesses Intrinsic Analgesic Properties and Enhances Analgesia of Morphine in a Rodent Tail Flick Pain Model. ACS Chem. Neurosci., 14(5), 917-935 (2023). [doi: 10.1021/acschemneuro.2c00779]

High ImpactCited 3 timesYuan Tian, Ishara Datta, Rui Yang, Chun Wan, Bing Wang, Lauren Crisman, Huan He, Chad A. Brautigam, Suzhao Li, Jingshi Shen, Qian Yin, Oligomer-to-monomer transition underlies the chaperone function of AAGAB in AP1/AP2 assembly. Proc Natl Acad Sci USA, 120(2), e2205199120 (2023). [doi: 10.1073/pnas.2205199120]

High ImpactCited 2 timesYunfeng Li, Yulia Pustovalova, Tzanko I. Doukov, Jeffrey C. Hoch, Richard E. Mains, Betty A. Eipper, Bing Hao, Structure of the Sec14 domain of Kalirin reveals a distinct class of lipid-binding module in RhoGEFs. Nat. Comm., 14(1), 96 (2023). [doi: 10.1038/s41467-022-35678-4]

High ImpactCited 5 timesAllison K. Daitch, Benjamin C. Orsburn, Zan Chen, Laura Alvarez, Colten D. Eberhard, Kousik Sundararajan, Rilee Zeinert, Dale F. Kreitler, Jean Jakoncic, Peter Chien, Felipe Cava, Sandra B. Gabelli, Erin D. Goley, EstG is a novel esterase required for cell envelope integrity in Caulobacter. Curr. Biol., 33(2), 228-240.e7 (2023). [doi: 10.1016/j.cub.2022.11.037]

High ImpactCited 23 timesNami Tajima, Noriko Simorowski, Remy A. Yovanno, Michael C. Regan, Kevin Michalski, Ricardo Gómez, Albert Y. Lau, Hiro Furukawa, Development and characterization of functional antibodies targeting NMDA receptors. Nat. Comm., 13(1), 923 (2022). [doi: 10.1038/s41467-022-28559-3]

High ImpactErica N. Parker, Brett N. Cain, Behnoush Hajian, Rebecca J. Ulrich, Emily J. Geddes, Sulyman Barkho, Hyang Yeon Lee, John D. Williams, Malik Raynor, Diana Caridha, Angela Zaino, Jason M. Rohde, Mark Zak, Mrinal Shekhar, Kristen A. Muñoz, Kara M. Rzasa, Emily R. Temple, Diana Hunt, Xiannu Jin, Chau Vuong, Kristina Pannone, Aya M. Kelly, Michael P. Mulligan, Katie K. Lee, Gee W. Lau, Deborah T. Hung, Paul J. Hergenrother, Correction to “An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections”. ACS Central Sci., 8(9), 1362-1362 (2022). [doi: 10.1021/acscentsci.2c00969]

High ImpactCited 54 timesJason J. Kwon, Behnoush Hajian, Yuemin Bian, Lucy C. Young, Alvaro J. Amor, James R. Fuller, Cara V. Fraley, Abbey M. Sykes, Jonathan So, Joshua Pan, Laura Baker, Sun Joo Lee, Douglas B. Wheeler, David L. Mayhew, Nicole S. Persky, Xiaoping Yang, David E. Root, Anthony M. Barsotti, Andrew W. Stamford, Charles K. Perry, Alex Burgin, Frank McCormick, Christopher T. Lemke, William C. Hahn, Andrew J. Aguirre, Structure–function analysis of the SHOC2–MRAS–PP1C holophosphatase complex. Nature, 609(7926), 408-415 (2022). [doi: 10.1038/s41586-022-04928-2]

Cited 7 timesBen J. Eves, Teklab Gebregiworgis, Geneviève M.C. Gasmi-Seabrook, Douglas A. Kuntz, Gilbert G. Privé, Christopher B. Marshall, Mitsuhiko Ikura, Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant. J. Mol. Biol., 434(9), 167527 (2022). [doi: 10.1016/j.jmb.2022.167527]

Cited 12 timesSeiji N. Sugiman-Marangos, Shivneet K. Gill, Michael J. Mansfield, Kathleen E. Orrell, Andrew C. Doxey, Roman A. Melnyk, Structures of distant diphtheria toxin homologs reveal functional determinants of an evolutionarily conserved toxin scaffold. Commun Biol, 5(1), 375 (2022). [doi: 10.1038/s42003-022-03333-9]

High ImpactCited 35 timesDhivya Sridaran, Surbhi Chouhan, Kiran Mahajan, Arun Renganathan, Cody Weimholt, Shambhavi Bhagwat, Melissa Reimers, Eric H. Kim, Manish K. Thakur, Muhammad A. Saeed, Russell K. Pachynski, Markus A. Seeliger, W. Todd Miller, Felix Y. Feng, Nupam P. Mahajan, Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance. Nat. Comm., 13(1), 6929 (2022). [doi: 10.1038/s41467-022-34724-5]

Cited 5 timesColin T. Sheehan, Thomas H. Hampton, Dean R. Madden, Tryptophan mutations in G3BP1 tune the stability of a cellular signaling hub by weakening transient interactions with Caprin1 and USP10. J. Biol. Chem., 298(12), 102552 (2022). [doi: 10.1016/j.jbc.2022.102552]

Cited 28 timesChunying Song, Dong Liu, Suxing Liu, Di Li, Ivana Horecny, Xinzhu Zhang, Puhui Li, Lei Chen, Matthew Miller, Rasheduzzaman Chowdhury, Mena Issa, Ru Shen, Yinfa Yan, Fengqi Zhang, Lei Zhang, Limin Zhang, Chang Bai, Jun Feng, Linghang Zhuang, Rumin Zhang, Jing Li, Hilary Wilkinson, Jian Liu, Weikang Tao, SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12(1), 8579 (2022). [doi: 10.1038/s41598-022-12449-1]

Cited 41 timesT. A. Alsenani, S. L. Viviani, V. Kumar, M. A. Taracila, C. R. Bethel, M. D. Barnes, K. M. Papp-Wallace, R. K. Shields, M. H. Nguyen, C. J. Clancy, R. A. Bonomo, F. van den Akker, Structural Characterization of the D179N and D179Y Variants of KPC-2 β-Lactamase: Ω-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob. Agents Chemother., 66(4) (2022). [doi: 10.1128/aac.02414-21]

High ImpactCited 40 timesYu Imai, Glenn Hauk, Jeffrey Quigley, Libang Liang, Sangkeun Son, Meghan Ghiglieri, Michael F. Gates, Madeleine Morrissette, Negar Shahsavari, Samantha Niles, Donna Baldisseri, Chandrashekhar Honrao, Xiaoyu Ma, Jason J. Guo, James M. Berger, Kim Lewis, Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis. Nat. Chem. Biol., 18(11), 1236-1244 (2022). [doi: 10.1038/s41589-022-01102-7]

High ImpactCited 21 timesAlexander A. Peterson, Aziz M. Rangwala, Manish K. Thakur, Patrick S. Ward, Christie Hung, Ian R. Outhwaite, Alix I. Chan, Dmitry L. Usanov, Vamsi K. Mootha, Markus A. Seeliger, David R. Liu, Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat. Chem. Biol., 18(11), 1184-1195 (2022). [doi: 10.1038/s41589-022-01116-1]

Cited 19 timesNina Reßing, Julian Schliehe-Diecks, Paris R. Watson, Melf Sönnichsen, Abigail D. Cragin, Andrea Schöler, Jing Yang, Linda Schäker-Hübner, Arndt Borkhardt, David W. Christianson, Sanil Bhatia, Finn K. Hansen, Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia. J. Med. Chem., 65(22), 15457-15472 (2022). [doi: 10.1021/acs.jmedchem.2c01418]

Cited 5 timesHelen B. Belato, Carmelissa Norbrun, Jinping Luo, Chinmai Pindi, Souvik Sinha, Alexandra M. D’Ordine, Gerwald Jogl, Giulia Palermo, George P. Lisi, Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage. J. Chem. Phys., 157(22), 225103 (2022). [doi: 10.1063/5.0128815]

High ImpactCited 14 timesKunhua Li, Olena S. Tokareva, Ty M. Thomson, Sebastian C. T. Wahl, Tara L. Travaline, Jessica D. Ramirez, Santosh K. Choudary, Sorabh Agarwal, Ward G. Walkup, Tivoli J. Olsen, Matthew J. Brennan, Gregory L. Verdine, John H. McGee, De novo mapping of α-helix recognition sites on protein surfaces using unbiased libraries. Proc Natl Acad Sci USA, 119(52) (2022). [doi: 10.1073/pnas.2210435119]

High ImpactCited 8 timesDebipreeta Bhowmik, Yuan Tian, Bing Wang, Fanxiu Zhu, Qian Yin, Structural basis of higher order oligomerization of KSHV inhibitor of cGAS. Proc Natl Acad Sci USA, 119(33) (2022). [doi: 10.1073/pnas.2200285119]

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Cited 14 timesDieter K. Schneider, Alexei S. Soares, Edwin O. Lazo, Dale F. Kreitler, Kun Qian, Martin R. Fuchs, Dileep K. Bhogadi, Steve Antonelli, Stuart S. Myers, Bruno S. Martins, John M. Skinner, Jun Aishima, Herbert J. Bernstein, Thomas Langdon, John Lara, Robert Petkus, Matt Cowan, Leonid Flaks, Thomas Smith, Grace Shea-McCarthy, Mourad Idir, Lei Huang, Oleg Chubar, Robert M. Sweet, Lonny E. Berman, Sean McSweeney, Jean Jakoncic, AMX &amp;ndash; the highly automated macromolecular crystallography (17-ID-1) beamline at the NSLS-II. J. Synch. Rad., 29(6), 1480-1494 (2022). [doi: 10.1107/S1600577522009377]

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Cited 5 timesGautam Srivastava, Rakhi Bajaj, Ganesan Senthil Kumar, Antoine Gaudreau-Lapierre, Hannah Nicolas, Delphine Chamousset, Dale Kreitler, Wolfgang Peti, Laura Trinkle-Mulcahy, Rebecca Page, The ribosomal RNA processing 1B:protein phosphatase 1 holoenzyme reveals non-canonical PP1 interaction motifs. Cell Rep., 41(9), 111726 (2022). [doi: 10.1016/j.celrep.2022.111726]

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Cited 12 timesTyler D. R. Vance, Patrick Yip, Elisabet Jiménez, Sheng Li, Diana Gawol, James Byrnes, Isabel Usón, Ahmed Ziyyat, Jeffrey E. Lee, SPACA6 ectodomain structure reveals a conserved superfamily of gamete fusion-associated proteins. Commun Biol, 5(1), 984 (2022). [doi: 10.1038/s42003-022-03883-y]

Cited 5 timesJoão Leandro, Susmita Khamrui, Chalada Suebsuwong, Peng-Jen Chen, Cody Secor, Tetyana Dodatko, Chunli Yu, Roberto Sanchez, Robert J. DeVita, Sander M. Houten, Michael B. Lazarus, Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1. Open Biol., 12(9) (2022). [doi: 10.1098/rsob.220179]

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Colin Sheehan, New Perspectives on a Pseudomonas aeruginosa Virulence Pathway Affecting Ubiquitination and Protein Homeostasis, Dissertation Thesis. Dartmouth College (2022).

Arnold Savenije, Obtaining diffuse scattering signal from X-ray diffraction experiments on lysozyme, Dissertation Thesis. Utrecht University (2022).

Noor Taher, New Twists on Familiar Motifs: Structural and Enzymatic Characterization of Two Cif-Like Epoxide Hydrolases from the Opportunistic Pathogen Burkholderia cenocepacia, Dissertation Thesis. Dartmouth College (2022).

Valerie Khayyo, Structural and Functional Insight into the Lipin Family of Phosphatidic Acid Phosphatases, Dissertation Thesis. Stony Brook University, Stony Brook (2022).

High ImpactCited 34 timesMeredith J. Zeller, Oleg Favorov, Kelin Li, Ashok Nuthanakanti, Dina Hussein, Auréliane Michaud, Daniel A. Lafontaine, Steven Busan, Alexander Serganov, Jeffrey Aubé, Kevin M. Weeks, SHAPE-enabled fragment-based ligand discovery for RNA. Proc Natl Acad Sci USA, 119(20) (2022). [doi: 10.1073/pnas.2122660119]

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Cited 11 timesBenjamín García-Ramírez, Israel Mares-Mejía, Annia Rodríguez-Hernández, Patricia Cano-Sánchez, Alfredo Torres-Larios, Enrique Ortega, Adela Rodríguez-Romero, A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity. Commun Biol, 5(1), 748 (2022). [doi: 10.1038/s42003-022-03718-w]

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Cited 35 timesBabak Andi, Desigan Kumaran, Dale F. Kreitler, Alexei S. Soares, Jantana Keereetaweep, Jean Jakoncic, Edwin O. Lazo, Wuxian Shi, Martin R. Fuchs, Robert M. Sweet, John Shanklin, Paul D. Adams, Jurgen G. Schmidt, Martha S. Head, Sean McSweeney, Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12(1), 12197 (2022). [doi: 10.1038/s41598-022-15930-z]

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High ImpactCited 14 timesNivea Pereira de Sa, Adam Taouil, Jinwoo Kim, Timothy Clement, Reece M. Hoffmann, John E. Burke, Robert C. Rizzo, Iwao Ojima, Maurizio Del Poeta, Michael V. Airola, Structure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents. Nat. Comm., 12(1), 5885 (2021). [doi: 10.1038/s41467-021-26163-5]

High ImpactCited 80 timesSameer Singh, Arnaud Vanden Broeck, Linamarie Miller, Malik Chaker-Margot, Sebastian Klinge, Nucleolar maturation of the human small subunit processome. Science, 373(6560) (2021). [doi: 10.1126/science.abj5338]

Cited 29 timesChamandi S. Dampalla, Athri D. Rathnayake, Krishani Dinali Perera, Abdul-Rahman M. Jesri, Harry Nhat Nguyen, Matthew J. Miller, Hayden A. Thurman, Jian Zheng, Maithri M. Kashipathy, Kevin P. Battaile, Scott Lovell, Stanley Perlman, Yunjeong Kim, William C. Groutas, Kyeong-Ok Chang, Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J. Med. Chem., 64(24), 17846-17865 (2021). [doi: 10.1021/acs.jmedchem.1c01037]

Cited 12 timesVijay Kumar, Samantha L. Viviani, Jeeda Ismail, Shreya Agarwal, Robert A. Bonomo, Focco van den Akker, Structural analysis of the boronic acid β-lactamase inhibitor vaborbactam binding to Pseudomonas aeruginosa penicillin-binding protein 3. PLoS One, 16(10), e0258359 (2021). [doi: 10.1371/journal.pone.0258359]

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High ImpactCited 51 timesParisa Hosseinzadeh, Paris R. Watson, Timothy W. Craven, Xinting Li, Stephen Rettie, Fátima Pardo-Avila, Asim K. Bera, Vikram Khipple Mulligan, Peilong Lu, Alexander S. Ford, Brian D. Weitzner, Lance J. Stewart, Adam P. Moyer, Maddalena Di Piazza, Joshua G. Whalen, Per Greisen, David W. Christianson, David Baker, Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat. Comm., 12(1), 3384 (2021). [doi: 10.1038/s41467-021-23609-8]

High ImpactCited 14 timesJingheng Wang, Cameron D. Buchman, Jayaraman Seetharaman, Darcie J. Miller, Andrew D. Huber, Jing Wu, Sergio C. Chai, Efren Garcia-Maldonado, William C. Wright, Jude Chenge, Taosheng Chen, Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5. J. Am. Chem. Soc., 143(44), 18467-18480 (2021). [doi: 10.1021/jacs.1c07066]

High ImpactCited 57 timesJared Balaich, Michael Estrella, Guojun Wu, Philip D. Jeffrey, Abhishek Biswas, Liping Zhao, Alexei Korennykh, Mohamed S. Donia, The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600(7887), 110-115 (2021). [doi: 10.1038/s41586-021-04091-0]

High ImpactCited 16 timesAshleigh S. Paparella, Briana L. Aboulache, Rajesh K. Harijan, Kathryn S. Potts, Peter C. Tyler, Vern L. Schramm, Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues. Nat. Comm., 12(1), 6285 (2021). [doi: 10.1038/s41467-021-26580-6]

Cited 7 timesTrey A. Ronnebaum, Samuel A. Eaton, Emily A. E. Brackhahn, David W. Christianson, Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase. Biochemistry, 60(42), 3162-3172 (2021). [doi: 10.1021/acs.biochem.1c00600]

Cited 45 timesChun-Hui Zhang, Krasimir A. Spasov, Raquel A. Reilly, Klarissa Hollander, Elizabeth A. Stone, Joseph A. Ippolito, Maria-Elena Liosi, Maya G. Deshmukh, Julian Tirado-Rives, Shuo Zhang, Zhuobin Liang, Scott J. Miller, Farren Isaacs, Brett D. Lindenbach, Karen S. Anderson, William L. Jorgensen, Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency. ACS Med. Chem. Lett., 12(8), 1325-1332 (2021). [doi: 10.1021/acsmedchemlett.1c00326]

Cited 9 timesLina J. Maciunas, Nadia Porter, Paula J. Lee, Kushol Gupta, Patrick J. Loll, Structures of full-length VanR from Streptomyces coelicolor in both the inactive and activated states. Acta Cryst Sect D Struct Biol, 77(8), 1027-1039 (2021). [doi: 10.1107/S2059798321006288]

High ImpactCited 18 timesWeijing Gu, Shujuan Gao, Huan Wang, Kaelin D. Fleming, Reece M. Hoffmann, Jong Won Yang, Nimi M. Patel, Yong Mi Choi, John E. Burke, Karen Reue, Michael V. Airola, The middle lipin domain adopts a membrane-binding dimeric protein fold. Nat. Comm., 12(1), 4718 (2021). [doi: 10.1038/s41467-021-24929-5]

High ImpactCited 30 timesMichael S. Hwang, Michelle S. Miller, Puchong Thirawatananond, Jacqueline Douglass, Katharine M. Wright, Emily Han-Chung Hsiue, Brian J. Mog, Tihitina Y. Aytenfisu, Michael B. Murphy, P. Aitana Azurmendi, Andrew D. Skora, Alexander H. Pearlman, Suman Paul, Sarah R. DiNapoli, Maximilian F. Konig, Chetan Bettegowda, Drew M. Pardoll, Nickolas Papadopoulos, Kenneth W. Kinzler, Bert Vogelstein, Shibin Zhou, Sandra B. Gabelli, Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens. Nat. Comm., 12(1), 5271 (2021). [doi: 10.1038/s41467-021-25605-4]

Cited 12 timesEdwin O. Lazo, Stephen Antonelli, Jun Aishima, Herbert J. Bernstein, Dileep Bhogadi, Martin R. Fuchs, Nicolas Guichard, Sean McSweeney, Stuart Myers, Kun Qian, Dieter Schneider, Grace Shea-McCarthy, John Skinner, Robert Sweet, Lin Yang, Jean Jakoncic, Robotic sample changers for macromolecular X-ray crystallography and biological small-angle X-ray scattering at the National Synchrotron Light Source II. J. Synch. Rad., 28(5), 1649-1661 (2021). [doi: 10.1107/S1600577521007578]

Cited 12 timesSai Priya Anand, Shilei Ding, William D. Tolbert, Jérémie Prévost, Jonathan Richard, Hwi Min Gil, Gabrielle Gendron-Lepage, Wing-Fai Cheung, Haifeng Wang, Rebecca Pastora, Hirak Saxena, Warren Wakarchuk, Halima Medjahed, Bruce D. Wines, Mark Hogarth, George M. Shaw, Malcom A. Martin, Dennis R. Burton, Lars Hangartner, David T. Evans, Marzena Pazgier, Doug Cossar, Michael D. McLean, Andrés Finzi, Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells. J. Virology, 95(18) (2021). [doi: 10.1128/JVI.00796-21]

High ImpactCited 171 timesKonstantin Shatalin, Ashok Nuthanakanti, Abhishek Kaushik, Dmitry Shishov, Alla Peselis, Ilya Shamovsky, Bibhusita Pani, Mirna Lechpammer, Nikita Vasilyev, Elena Shatalina, Dmitri Rebatchouk, Alexander Mironov, Peter Fedichev, Alexander Serganov, Evgeny Nudler, Inhibitors of bacterial H2S biogenesis targeting antibiotic resistance and tolerance. Science, 372(6547), 1169-1175 (2021). [doi: 10.1126/science.abd8377]

Cited 46 timesChamandi S. Dampalla, Yunjeong Kim, Naemi Bickmeier, Athri D. Rathnayake, Harry Nhat Nguyen, Jian Zheng, Maithri M. Kashipathy, Matthew A. Baird, Kevin P. Battaile, Scott Lovell, Stanley Perlman, Kyeong-Ok Chang, William C. Groutas, Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J. Med. Chem., 64(14), 10047-10058 (2021). [doi: 10.1021/acs.jmedchem.1c00319]

Cited 15 timesCharles R. Midgett, Kacey Marie Talbot, Jessica L. Day, George P. Munson, F. Jon Kull, Structure of the master regulator Rns reveals an inhibitor of enterotoxigenic Escherichia coli virulence regulons. Sci Rep, 11(1), 15663 (2021). [doi: 10.1038/s41598-021-95123-2]

Lucinda Hemmick, Dame Forbes, Robert Bolen, Mary Kroll, Dianna Gobler, John Halloran, Vivian Stojanoff, Aleida Perez, Collaboration Crushes Competition! Preparing High School Research Students for Success in Big Science Careers. The Science Teacher, 88(6), 38 (2021).

Cited 47 timesMaya G. Deshmukh, Joseph A. Ippolito, Chun-Hui Zhang, Elizabeth A. Stone, Raquel A. Reilly, Scott J. Miller, William L. Jorgensen, Karen S. Anderson, Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29(8), 823-833.e5 (2021). [doi: 10.1016/j.str.2021.06.002]

High ImpactCited 7 timesTommaso Cupido, Natalie H. Jones, Michael J. Grasso, Rudolf Pisa, Tarun M. Kapoor, A chemical genetics approach to examine the functions of AAA proteins. Nat. Struct. Mol. Biol., 28(4), 388-397 (2021). [doi: 10.1038/s41594-021-00575-9]

Cited 38 timesIsabelle R. Taylor, Jon E. Paczkowski, Philip D. Jeffrey, Brad R. Henke, Chari D. Smith, Bonnie L. Bassler, Inhibitor Mimetic Mutations in the Pseudomonas aeruginosa PqsE Enzyme Reveal a Protein–Protein Interaction with the Quorum-Sensing Receptor RhlR That Is Vital for Virulence Factor Production. ACS Chem. Biol., 16(4), 740-752 (2021). [doi: 10.1021/acschembio.1c00049]

High ImpactCited 5 timesCristina C. Santarossa, Keith J. Mickolajczyk, Jonathan B. Steinman, Linas Urnavicius, Nan Chen, Yasuhiro Hirata, Yoshiyuki Fukase, Nicolas Coudray, Damian C. Ekiert, Gira Bhabha, Tarun M. Kapoor, Targeting allostery in the Dynein motor domain with small molecule inhibitors. Cell Chem. Biol., 28(10), 1460-1473.e15 (2021). [doi: 10.1016/j.chembiol.2021.04.024]

Cited 5 timesVitor Hugo B. Serrão, Jonathan D. Cook, Jeffrey E. Lee, Snapshot of an influenza virus glycoprotein fusion intermediate. Cell Rep., 35(7), 109152 (2021). [doi: 10.1016/j.celrep.2021.109152]

Cited 14 timesTianao Yuan, Joshua M. Werman, Xingyu Yin, Meng Yang, Miguel Garcia-Diaz, Nicole S. Sampson, Enzymatic β-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA. ACS Infect. Dis., 7(6), 1739-1751 (2021). [doi: 10.1021/acsinfecdis.1c00069]

Cited 16 timesOlasunkanmi O. Olaoye, Paris R. Watson, Nabanita Nawar, Mulu Geletu, Abootaleb Sedighi, Shazreh Bukhari, Yasir S. Raouf, Pimyupa Manaswiyoungkul, Fettah Erdogan, Ayah Abdeldayem, Aaron D. Cabral, Muhammad Murtaza Hassan, Krimo Toutah, Andrew E. Shouksmith, Justyna M. Gawel, Johan Israelian, Tudor B. Radu, Niyati Kachhiyapatel, Elvin D. de Araujo, David W. Christianson, Patrick T. Gunning, Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological Characterization of a Model Chemotype. J. Med. Chem., 64(5), 2691-2704 (2021). [doi: 10.1021/acs.jmedchem.0c01922]

Cited 28 timesMalligarjunan Rajavel, Vijay Kumar, Ha Nguyen, Jacob Wyatt, Steven H. Marshall, Krisztina M. Papp-Wallace, Prasad Deshpande, Satish Bhavsar, Ravindra Yeole, Sachin Bhagwat, Mahesh Patel, Robert A. Bonomo, Focco van den Akker, Structural Characterization of Diazabicyclooctane β-Lactam “Enhancers” in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. mBio, 12(1) (2021). [doi: 10.1128/mBio.03058-20]

Cited 6 timesMareike Wiedmann, Patricia K. Dranchak, Mahesh Aitha, Bryan Queme, Christopher D. Collmus, Maithri M. Kashipathy, Liza Kanter, Laurence Lamy, Joseph M. Rogers, Dingyin Tao, Kevin P. Battaile, Ganesha Rai, Scott Lovell, Hiroaki Suga, James Inglese, Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases. J. Biol. Chem., 100628 (2021). [doi: 10.1016/j.jbc.2021.100628]

High ImpactCited 23 timesPaula C. Ortet, Samantha N. Muellers, Lauren A. Viarengo-Baker, Kristina Streu, Blair R. Szymczyna, Aaron B. Beeler, Karen N. Allen, Adrian Whitty, Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J. Am. Chem. Soc., 143(10), 3779-3793 (2021). [doi: 10.1021/jacs.0c09799]

Cited 12 timesAmit K. Gandhi, Zhen-Yu J. Sun, Walter M. Kim, Yu-Hwa Huang, Yasuyuki Kondo, Daniel A. Bonsor, Eric J. Sundberg, Gerhard Wagner, Vijay K. Kuchroo, Gregory A. Petsko, Richard S. Blumberg, Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium. Commun Biol, 4(1), 360 (2021). [doi: 10.1038/s42003-021-01871-2]

High ImpactCited 78 timesKazuki Kato, Sadeem Ahmad, Zixiang Zhu, Janet M. Young, Xin Mu, Sehoon Park, Harmit S. Malik, Sun Hur, Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases. Mol. Cell, 81(3), 599-613.e8 (2021). [doi: 10.1016/j.molcel.2020.11.047]

High ImpactCited 172 timesChun-Hui Zhang, Elizabeth A. Stone, Maya Deshmukh, Joseph A. Ippolito, Mohammad M. Ghahremanpour, Julian Tirado-Rives, Krasimir A. Spasov, Shuo Zhang, Yuka Takeo, Shalley N. Kudalkar, Zhuobin Liang, Farren Isaacs, Brett Lindenbach, Scott J. Miller, Karen S. Anderson, William L. Jorgensen, Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. ACS Central Sci., 7(3), 467-475 (2021). [doi: 10.1021/acscentsci.1c00039]

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Guanhong Bu, Chad R. Simmons, David R. Nielsen, Brent L. Nannenga, Tetragonal crystal form of the cyanobacterial bicarbonate-transporter regulator SbtB from Synechocystis sp. PCC 6803. Acta Cryst Sect F, 76(9), 438-443 (2020). [doi: 10.1107/S2053230X20010523]

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L Yang, D Schneider, M Fuches, L Berman, Current Status of ABBIX Beamlines Developed for X-Ray Scattering and Macromolecular Crystallography at NSLS-II. Biophys. J., 106(2), 384a (2014).

N Canestrari, O Chubar, M Sanchez del Rio, Improved Models for Synchrotron Radiation Sources in SHADOW. J Phys.: Conf. Ser., 425, 162007 (2013).

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