Highly Automated Macromolecular Crystallography

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]

Alexander 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 5 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]

Amy 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 ImpactPaul 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) (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 1 timeCherrelle 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) (2025). [doi: 10.1126/science.adr0510]

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) (2025). [doi: 10.1128/mbio.03546-24]

High ImpactPrakash 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 ImpactAnna 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, Computational design of serine hydrolases. Science, 388(6744) (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]

John 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 ImpactAnkur 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]

Arun 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 ImpactTing-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]

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) (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, 12 (2025). [doi: 10.7554/eLife.91168.3]

High ImpactHengrui 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, Interaction of N-methylmesoporphyrin IX with a hybrid left-/right-handed G-quadruplex motif from the promoter of the SLC2A1 gene. Nucleic Acids Res. (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]

High ImpactCited 1 timeNian 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 2 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 8 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]

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) (2024). [doi: 10.1002/pro.4875]

High ImpactSimon 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 1 timeBo 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 2 timesPatrick 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 3 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 1 timeWeiping 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]

Bryce 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 2 timesWyatt 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) (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 1 timeRichard 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 4 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, Engineered cytokine/antibody fusion proteins improve IL-2 delivery to pro-inflammatory cells and promote antitumor activity, 9(18) (2024). [doi: 10.1172/jci.insight.173469]

High ImpactRuoxi 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. (2024). [doi: 10.1093/nar/gkae717]

High ImpactCited 2 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 2 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 3 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 2 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 6 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 7 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 4 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 2 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 3 timesShujuan Gao, Jake W. Carrasquillo Rodríguez, 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) (2024). [doi: 10.1073/pnas.2321167121]

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 (2024). [doi: 10.3389/fmolb.2024.1390745]

High ImpactCited 7 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 3 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 4 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 6 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]

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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, 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) (2024). [doi: 10.1002/pro.4930]

High ImpactCited 7 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 36 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 237 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, Generalized biomolecular modeling and design with RoseTTAFold All-Atom. Science, 384(6693) (2024). [doi: 10.1126/science.adl2528]

Cited 4 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 9 timesErin 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) (2024). [doi: 10.1126/sciadv.adl1045]

Cited 10 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 3 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, A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR. Nucleic Acids Res. (2024). [doi: 10.1093/nar/gkad1175]

Cited 2 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 3 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 3 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 2 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 1 timeEve 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 (2024). [doi: 10.3389/fcimb.2023.1322973]

High ImpactCited 12 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]

Cited 3 timesDebajit Dey, S. Saif Hasan, Strategies for rapid production of crystallization quality coatomer WD40 domains. Protein Expr. Purif., 212, 106358 (2023). [doi: 10.1016/j.pep.2023.106358]

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 12 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 4 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 9 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 3 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 7 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 4 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 2 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]

High ImpactCited 7 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 16 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]

Cited 4 timesAyan Majumder, Nemanja Vuksanovic, Leah C. Ray, Hannah M. Bernstein, Karen N. Allen, Barbara Imperiali, John E. Straub, Synergistic computational and experimental studies of a phosphoglycosyl transferase membrane/ligand ensemble. J. Biol. Chem., 299(10), 105194 (2023). [doi: 10.1016/j.jbc.2023.105194]

High ImpactCited 7 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 21 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 5 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 11 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 3 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 2 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 6 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 1 timeFu-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 4 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]

High ImpactCited 7 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 10 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 3 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, Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds. Protein Sci., 32(7), e4683 (2023). [doi: 10.1002/pro.4683]

Cited 1 timeKeith 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 5 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]

Cited 1 timeKimberly C. Grasty, Claudia Guzik, Elizabeth J. D’Lauro, Shae B. Padrick, Joris Beld, Patrick J. Loll, Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding. J. Biol. Chem., 299(3), 103001 (2023). [doi: 10.1016/j.jbc.2023.103001]

High ImpactCited 10 timesTao-Hsin Chang, Fu-Lien Hsieh, Xiaowu Gu, Philip M. Smallwood, Jennifer M. Kavran, Sandra B. Gabelli, Jeremy Nathans, Structural insights into plasmalemma vesicle-associated protein (PLVAP): Implications for vascular endothelial diaphragms and fenestrae. Proc Natl Acad Sci USA, 120(14), e2221103120 (2023). [doi: 10.1073/pnas.2221103120]

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 12 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]

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Cited 5 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]

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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]

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High ImpactCited 33 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]

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Cited 4 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]

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High ImpactCited 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 8 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 29 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 10 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 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 16 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 28 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 11 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 9 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 150 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 45 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 13 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 44 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 6 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 34 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]

Cited 3 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]

High ImpactCited 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 12 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 13 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 27 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]

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High ImpactCited 20 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]

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High ImpactCited 75 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 179 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]

Cited 3 timesNoor M. Taher, Kelli L. Hvorecny, Cassandra M. Burke, Morgan S.A. Gilman, Gary E. Heussler, Jared Adolf-Bryfogle, Christopher D. Bahl, George A. O'Toole, Dean R. Madden, Biochemical and structural characterization of two cif-like epoxide hydrolases from Burkholderia cenocepacia. Current Research in Structural Biology, 3, 72-84 (2021). [doi: 10.1016/j.crstbi.2021.02.002]

Cited 29 timesPaul T. Marcyk, Emmanuelle V. LeBlanc, Douglas A. Kuntz, Alice Xue, Francisco Ortiz, Richard Trilles, Stephen Bengtson, Tristan M. G. Kenney, David S. Huang, Nicole Robbins, Noelle S. Williams, Damian J. Krysan, Gilbert G. Privé, Luke Whitesell, Leah E. Cowen, Lauren E. Brown, Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity. J. Med. Chem., 64(2), 1139-1169 (2021). [doi: 10.1021/acs.jmedchem.0c01777]

Cited 42 timesChris A. Brosey, Jerry H. Houl, Panagiotis Katsonis, Lakshitha P.F. Balapiti-Modarage, Shobanbabu Bommagani, Andy Arvai, Davide Moiani, Albino Bacolla, Todd Link, Leslie S. Warden, Olivier Lichtarge, Darin E. Jones, Zamal Ahmed, John A. Tainer, Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog. Biophys. Mol. Bio., 163, 171-186 (2021). [doi: 10.1016/j.pbiomolbio.2021.02.002]

High ImpactCited 231 timesEmily Han-Chung Hsiue, Katharine M. Wright, Jacqueline Douglass, Michael S. Hwang, Brian J. Mog, Alexander H. Pearlman, Suman Paul, Sarah R. DiNapoli, Maximilian F. Konig, Qing Wang, Annika Schaefer, Michelle S. Miller, Andrew D. Skora, P. Aitana Azurmendi, Michael B. Murphy, Qiang Liu, Evangeline Watson, Yana Li, Drew M. Pardoll, Chetan Bettegowda, Nickolas Papadopoulos, Kenneth W. Kinzler, Bert Vogelstein, Sandra B. Gabelli, Shibin Zhou, Targeting a neoantigen derived from a common TP53 mutation. Science, 371(6533), eabc8697 (2021). [doi: 10.1126/science.abc8697]

Cited 34 timesIsidoro Olmeda, Patricia Casino, Robert E. Collins, Ramón Sendra, Sara Callejón, Juanjo Huesa, Alexei S. Soares, Sergi Ferrer, Isabel Pardo, Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species. Microb. Biotechnol., 14(3), 1026-1043 (2021). [doi: 10.1111/1751-7915.13751]

Cited 4 timesElliot I. Corless, Syed Muhammad Saad Imran, Maxwell B. Watkins, John-Paul Bacik, Jenna R. Mattice, Angela Patterson, Karamatullah Danyal, Mark Soffe, Robert Kitelinger, Lance C. Seefeldt, Sofia Origanti, Brian Bennett, Brian Bothner, Nozomi Ando, Edwin Antony, The flexible N-terminus of BchL autoinhibits activity through interaction with its [4Fe-4S] cluster and released upon ATP binding. J. Biol. Chem., 296, 100107 (2021). [doi: 10.1074/jbc.RA120.016278]

Cited 7 timesKerry Silva McPherson, Angela M. Zaino, Radha C. Dash, Alessandro A. Rizzo, Yunfeng Li, Bing Hao, Irina Bezsonova, M. Kyle Hadden, Dmitry M. Korzhnev, Structure‐Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis. ChemMedChem, 16(7), 1126-1132 (2021). [doi: 10.1002/cmdc.202000893]

Margarita Alexandrovna Tararina, Structural and Mechanistic Analyses of a Nicotine- Degrading Enzyme from Pseudomonas Putida: Towards Design of Tools and Biotherapeutics, Ph.D. thesis Thesis. Boston University, Boston (2020).

Cited 16 timesSophie M. Travis, Kevin DAmico, I-Mei Yu, Conor McMahon, Safraz Hamid, Gabriel Ramirez-Arellano, Philip D. Jeffrey, Frederick M. Hughson, Structural basis for the binding of SNAREs to the multisubunit tethering complex Dsl1. J. Biol. Chem., 295(30), 10125-10135 (2020). [doi: 10.1074/jbc.RA120.013654]

Cited 16 timesIga Kucharska, Elaine Thai, Ananya Srivastava, John L Rubinstein, Régis Pomès, Jean-Philippe Julien, Structural ordering of the Plasmodium berghei circumsporozoite protein repeats by inhibitory antibody 3D11. eLIfe, 9 (2020). [doi: 10.7554/eLife.59018]

Cited 7 timesGrant Eilers, Kushol Gupta, Audrey Allen, Jeffrey Zhou, Young Hwang, Michael B. Cory, Frederic D. Bushman, Gregory Van Duyne, Influence of the amino-terminal sequence on the structure and function of HIV integrase. Retrovirology, 17(1), 28 (2020). [doi: 10.1186/s12977-020-00537-x]

High ImpactCited 27 timesManxue Jia, Rachel A. Liberatore, Yicheng Guo, Kun-Wei Chan, Ruimin Pan, Hong Lu, Eric Waltari, Eva Mittler, Kartik Chandran, Andrés Finzi, Daniel E. Kaufmann, Michael S. Seaman, David D. Ho, Lawrence Shapiro, Zizhang Sheng, Xiang-Peng Kong, Paul D. Bieniasz, Xueling Wu, VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA. Cell Host & Microbe, 27(6), 963-975.e5 (2020). [doi: 10.1016/j.chom.2020.03.024]

Cited 12 timesIva Chitrakar, James N. Iuliano, YongLe He, Helena A. Woroniecka, Jinnette Tolentino Collado, Jinelle M. Wint, Stephen G. Walker, Peter J. Tonge, Jarrod B. French, Structural Basis for the Regulation of Biofilm Formation and Iron Uptake in A. baumannii by the Blue-Light-Using Photoreceptor, BlsA. ACS Infect. Dis., 6(10), 2592-2603 (2020). [doi: 10.1021/acsinfecdis.0c00156]

High ImpactCited 24 timesPingfeng Zhang, Latifeh Azizi, Sampo Kukkurainen, Tong Gao, Mo Baikoghli, Marie-Claude Jacquier, Yijuan Sun, Juha A. E. Määttä, R. Holland Cheng, Bernhard Wehrle-Haller, Vesa P. Hytönen, Jinhua Wu, Crystal structure of the FERM-folded talin head reveals the determinants for integrin binding. Proc Natl Acad Sci USA, 117(51), 32402-32412 (2020). [doi: 10.1073/pnas.2014583117]

Cited 33 timesJérémie Prévost, William D. Tolbert, Halima Medjahed, Rebekah T. Sherburn, Navid Madani, Daria Zoubchenok, Gabrielle Gendron-Lepage, Althea E. Gaffney, Melissa C. Grenier, Sharon Kirk, Natasha Vergara, Changze Han, Brendan T. Mann, Agnès L. Chénine, Adel Ahmed, Irwin Chaiken, Frank Kirchhoff, Beatrice H. Hahn, Hillel Haim, Cameron F. Abrams, Amos B. Smith, Joseph Sodroski, Marzena Pazgier, Andrés Finzi, The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site. mBio, 11(3) (2020). [doi: 10.1128/mBio.00280-20]

Cited 11 timesJohn G. Luz, Anne P. Beigneux, DeeAnn K. Asamoto, Cuiwen He, Wenxin Song, Christopher M. Allan, Jazmin Morales, Yiping Tu, Adam Kwok, Thomas Cottle, Muthuraman Meiyappan, Loren G. Fong, Judy E. Kim, Michael Ploug, Stephen G. Young, Gabriel Birrane, The structural basis for monoclonal antibody 5D2 binding to the tryptophan-rich loop of lipoprotein lipase. J. Lipid Res., 61(10), 1347-1359 (2020). [doi: 10.1194/jlr.RA120000993]

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]

Cited 6 timesJeremy D. Osko, David W. Christianson, Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6. Acta Cryst Sect F, 76(9), 428-437 (2020). [doi: 10.1107/S2053230X20010250]

High ImpactCited 28 timesErik H. Klontz, Chao Li, Kyle Kihn, James K. Fields, Dorothy Beckett, Greg A. Snyder, Patrick L. Wintrode, Daniel Deredge, Lai-Xi Wang, Eric J. Sundberg, Structure and dynamics of an α-fucosidase reveal a mechanism for highly efficient IgG transfucosylation. Nat. Comm., 11(1), 6204 (2020). [doi: 10.1038/s41467-020-20044-z]

Cited 10 timesHerbert J. Bernstein, Lawrence C. Andrews, Jorge A. Diaz, Jean Jakoncic, Thu Nguyen, Nicholas K. Sauter, Alexei S. Soares, Justin Y. Wei, Maciej R. Wlodek, Mario A. Xerri, Best practices for high data-rate macromolecular crystallography (HDRMX). Struct. Dyn., 7(1), 014302 (2020). [doi: 10.1063/1.5128498]

Cited 5 timesLina Takemaru, Gongrui Guo, Ping Zhu, Wayne A. Hendrickson, Sean McSweeney, Qun Liu, PyMDA: microcrystal data assembly using Python. J. Appl. Cryst., 53(1), 277-281 (2020). [doi: 10.1107/S160057671901673X]

Cited 18 timesTravis J Eisemann, Frederick Allen, Kelly Lau, Gregory R Shimamura, Philip D Jeffrey, Frederick M Hughson, The Sec1/Munc18 protein Vps45 holds the Qa-SNARE Tlg2 in an open conformation. eLIfe, 9 (2020). [doi: 10.7554/eLife.60724]

Cited 5 timesSweta Maheshwari, Yu Seon Kim, Srinivas Aripirala, Michael Murphy, L. Mario Amzel, Sandra B. Gabelli, Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase. Biochemistry, 59(29), 2751-2759 (2020). [doi: 10.1021/acs.biochem.0c00432]

High ImpactCited 16 timesAnuska Das, Travis H. Hand, Chardasia L. Smith, Ethan Wickline, Michael Zawrotny, Hong Li, The molecular basis for recognition of 5′-NNNCC-3′ PAM and its methylation state by Acidothermus cellulolyticus Cas9. Nat. Comm., 11(1), 6346 (2020). [doi: 10.1038/s41467-020-20204-1]

Cited 17 timesTrey A. Ronnebaum, Sarah M. Gardner, David W. Christianson, An Aromatic Cluster in the Active Site of epi-Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways. Biochemistry, 59(50), 4744-4754 (2020). [doi: 10.1021/acs.biochem.0c00876]

High ImpactCited 23 timesChad R. Simmons, Tara MacCulloch, Fei Zhang, Yan Liu, Nicholas Stephanopoulos, Hao Yan, A Self‐Assembled Rhombohedral DNA Crystal Scaffold with Tunable Cavity Sizes and High‐Resolution Structural Detail. Angew. Chem. Int. Ed., 59(42), 18619-18626 (2020). [doi: 10.1002/anie.202005505]

High ImpactCited 8 timesTao-Hsin Chang, Fu-Lien Hsieh, Philip M. Smallwood, Sandra B. Gabelli, Jeremy Nathans, Structure of the RECK CC domain, an evolutionary anomaly. Proc Natl Acad Sci USA, 117(26), 15104-15111 (2020). [doi: 10.1073/pnas.2006332117]

High ImpactCited 41 timesYonghwa Kwon, Robyn M. Kaake, Ignacia Echeverria, Marissa Suarez, Mohammad Karimian Shamsabadi, Charlotte Stoneham, Peter W. Ramirez, Jacob Kress, Rajendra Singh, Andrej Sali, Nevan Krogan, John Guatelli, Xiaofei Jia, Structural basis of CD4 downregulation by HIV-1 Nef. Nat. Struct. Mol. Biol., 27(9), 822-828 (2020). [doi: 10.1038/s41594-020-0463-z]

Cited 4 timesChristine M. Harvey, Katherine H. O’Toole, Chunliang Liu, Patrick Mariano, Debra Dunaway-Mariano, Karen N. Allen, Structural Analysis of Binding Determinants of Salmonella typhimurium Trehalose-6-phosphate Phosphatase Using Ground-State Complexes. Biochemistry, 59(35), 3247-3257 (2020). [doi: 10.1021/acs.biochem.0c00317]

High ImpactCited 12 timesSamuel D. Melton, Emily A. E. Brackhahn, Samuel J. Orlin, Pengfei Jin, David M. Chenoweth, Rules for the design of aza-glycine stabilized triple-helical collagen peptides. Chem. Sci., 11(39), 10638-10646 (2020). [doi: 10.1039/D0SC03003A ]

Cited 21 timesCorey J. Herbst-Gervasoni, Raphael R. Steimbach, Michael Morgen, Aubry K. Miller, David W. Christianson, Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase. ACS Chem. Biol., 15(8), 2154-2163, PMCID: 7442746 (2020). [doi: 10.1021/acschembio.0c00362]

Cited 18 timesLucy Lin, Margaret E. Olson, Takashi Sugane, Lewis D. Turner, Margarita A. Tararina, Alexander L. Nielsen, Elbek K. Kurbanov, Sabine Pellett, Eric A. Johnson, Seth M. Cohen, Karen N. Allen, Kim D. Janda, Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A. J. Med. Chem., 63(19), 11100-11120 (2020). [doi: 10.1021/acs.jmedchem.0c01006]

High ImpactCited 103 timesZaigham M. Khan, Alexander M. Real, William M. Marsiglia, Arthur Chow, Mary E. Duffy, Jayasudhan R. Yerabolu, Alex P. Scopton, Arvin C. Dar, Structural basis for the action of the drug trametinib at KSR-bound MEK. Nature, 588(7838), 509-514 (2020). [doi: 10.1038/s41586-020-2760-4]

Cited 18 timesHerbert J. Bernstein, Andreas Förster, Asmit Bhowmick, Aaron S. Brewster, Sandor Brockhauser, Luca Gelisio, David R. Hall, Filip Leonarski, Valerio Mariani, Gianluca Santoni, Clemens Vonrhein, Graeme Winter, Gold Standard for macromolecular crystallography diffraction data. IUCrJ, 7(5), 784-792 (2020). [doi: 10.1107/S2052252520008672]

Cited 16 timesTobias Geiger, Maria Lara-Tejero, Yong Xiong, Jorge E Galán, Mechanisms of substrate recognition by a typhoid toxin secretion-associated muramidase. eLIfe, 9 (2020). [doi: 10.7554/eLife.53473]

Cited 9 timesJessica M. Carpenter, Fangfang Zhong, Michael J. Ragusa, Ricardo O. Louro, Deborah A. Hogan, Ekaterina V. Pletneva, Structure and redox properties of the diheme electron carrier cytochrome c4 from Pseudomonas aeruginosa. J. Inorg. Biochem., 203, 110889 (2020). [doi: 10.1016/j.jinorgbio.2019.110889]

Cited 22 timesXiuliang Huang, Olivia P. Duddy, Justin E. Silpe, Jon E. Paczkowski, Jianping Cong, Brad R. Henke, Bonnie L. Bassler, Mechanism underlying autoinducer recognition in the Vibrio cholerae DPO-VqmA quorum-sensing pathway. J. Biol. Chem., 295(10), 2916-2931 (2020). [doi: 10.1074/jbc.RA119.012104]

Cited 39 timesDavid E. Heppner, Marcel Günther, Florian Wittlinger, Stefan A. Laufer, Michael J. Eck, Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors. J. Med. Chem., 63(8), 4293-4305 (2020). [doi: 10.1021/acs.jmedchem.0c00200]

High ImpactCited 19 timesAnahita Daruwalla, Jianye Zhang, Ho Jun Lee, Nimesh Khadka, Erik R. Farquhar, Wuxian Shi, Johannes von Lintig, Philip D. Kiser, Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase. Proc Natl Acad Sci USA, 117(33), 19914-19925 (2020). [doi: 10.1073/pnas.2004116117]

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