7KMI
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![BU of 7kmi by Molmil](/molmil-images/mine/7kmi) | LY-CoV481 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV481 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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6ATW
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7L5D
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![BU of 7l5d by Molmil](/molmil-images/mine/7l5d) | The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-21 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2. Science, 373, 2021
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6BGB
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6B1S
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6B4D
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![BU of 6b4d by Molmil](/molmil-images/mine/6b4d) | Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | Descriptor: | 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, Mahon, B.P, McKenna, R. | Deposit date: | 2017-09-26 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.196 Å) | Cite: | Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors. ACS Med Chem Lett, 8, 2017
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2MJR
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![BU of 2mjr by Molmil](/molmil-images/mine/2mjr) | Anoplin R5W structure in DPC micelles | Descriptor: | Anoplin, UNKNOWN ATOM OR ION, dodecyl 2-(trimethylammonio)ethyl phosphate | Authors: | Uggerhoej, L, Poulsen, T.J, Wimmer, R. | Deposit date: | 2014-01-16 | Release date: | 2014-12-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Rational Design of Alpha-Helical Antimicrobial Peptides: Do's and Don'ts. Chembiochem, 16, 2015
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6B1Q
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6B1W
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![BU of 6b1w by Molmil](/molmil-images/mine/6b1w) | Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by co-crystallization | Descriptor: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ... | Authors: | van den Akker, F, Nguyen, N.Q. | Deposit date: | 2017-09-19 | Release date: | 2018-08-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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6B22
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![BU of 6b22 by Molmil](/molmil-images/mine/6b22) | Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION | Authors: | van den Akker, F, Nguyen, N.Q. | Deposit date: | 2017-09-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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2LZ5
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![BU of 2lz5 by Molmil](/molmil-images/mine/2lz5) | Solution structure of a Novel Alpha-Conotoxin TxIB | Descriptor: | Conotoxin_TxIB | Authors: | Luo, S, Zhangsun, D, Wu, Y, Zhu, X, Hu, Y, McIntyre, M, Christensen, S, Akcan, M, Craik, D, McIntosh, J. | Deposit date: | 2012-09-23 | Release date: | 2012-12-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Characterization of a novel alpha-conotoxin from conus textile that selectively targets alpha6/alpha3beta2beta3 nicotinic acetylcholine receptors. J.Biol.Chem., 288, 2013
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6B1Y
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![BU of 6b1y by Molmil](/molmil-images/mine/6b1y) | Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by co-crystallization | Descriptor: | (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ... | Authors: | van den Akker, F, Nguyen, N.Q. | Deposit date: | 2017-09-19 | Release date: | 2018-08-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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2MJQ
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2MWT
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![BU of 2mwt by Molmil](/molmil-images/mine/2mwt) | NMR structure of crotalicidin in DPC micelles | Descriptor: | Cathelicidin-like peptide | Authors: | Jimenez, M, Zamora-Carreras, H. | Deposit date: | 2014-11-24 | Release date: | 2015-11-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Dissection of Crotalicidin, a Rattlesnake Venom Cathelicidin, Retrieves a Fragment with Antimicrobial and Antitumor Activity. J.Med.Chem., 58, 2015
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7KRW
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7KO2
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7KRU
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7KRV
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![BU of 7krv by Molmil](/molmil-images/mine/7krv) | Stimulating state of disulfide-bridged Hsp70 DnaK | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide, MAGNESIUM ION, ... | Authors: | Wang, W, Hendrickson, W.A. | Deposit date: | 2020-11-20 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Conformational equilibria in allosteric control of Hsp70 chaperones. Mol.Cell, 81, 2021
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7KRT
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![BU of 7krt by Molmil](/molmil-images/mine/7krt) | Restraining state of a truncated Hsp70 DnaK | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, MAGNESIUM ION | Authors: | Wang, W, Hendrickson, W.A. | Deposit date: | 2020-11-20 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Conformational equilibria in allosteric control of Hsp70 chaperones. Mol.Cell, 81, 2021
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6CQK
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![BU of 6cqk by Molmil](/molmil-images/mine/6cqk) | Crystal Structure of mitochondrial single-stranded DNA binding proteins from S. cerevisiae, Rim1 (Form1) | Descriptor: | SsDNA-binding protein essential for mitochondrial genome maintenance | Authors: | Singh, S.P, Kukshal, V, Bona, P.D, Lytle, A.K, Edwin, A, Galletto, R. | Deposit date: | 2018-03-15 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The mitochondrial single-stranded DNA binding protein from S. cerevisiae, Rim1, does not form stable homo-tetramers and binds DNA as a dimer of dimers. Nucleic Acids Res., 46, 2018
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7L0L
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![BU of 7l0l by Molmil](/molmil-images/mine/7l0l) | Cryo-EM structure of the VRC316 clinical trial, vaccine-elicited, human antibody 316-310-1B11 in complex with an H2 CAN05 HA trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 316-310-1B11 Heavy Chain, 316-310-1B11 Light Chain, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2020-12-11 | Release date: | 2021-11-03 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | A single residue in influenza virus H2 hemagglutinin enhances the breadth of the B cell response elicited by H2 vaccination. Nat Med, 28, 2022
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6CA4
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![BU of 6ca4 by Molmil](/molmil-images/mine/6ca4) | Crystal structure of humanized D. rerio TDP2 by 14 mutations | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ... | Authors: | Shi, K, Aihrara, H. | Deposit date: | 2018-01-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2). Eur J Pharm Sci, 118, 2018
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6BVW
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![BU of 6bvw by Molmil](/molmil-images/mine/6bvw) | SFTI-HFRW-3 | Descriptor: | Trypsin inhibitor 1 HFRW-3 | Authors: | Schroeder, C.I. | Deposit date: | 2017-12-14 | Release date: | 2018-12-19 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1. J.Med.Chem., 61, 2018
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6BVX
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![BU of 6bvx by Molmil](/molmil-images/mine/6bvx) | SFTI-HFRW-2 | Descriptor: | Trypsin inhibitor 1 HFRW-2 | Authors: | Schroeder, C.I. | Deposit date: | 2017-12-14 | Release date: | 2018-12-19 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1. J.Med.Chem., 61, 2018
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7KUW
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