6D5Y
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![BU of 6d5y by Molmil](/molmil-images/mine/6d5y) | Crystal structure of ERK2 G169D mutant | Descriptor: | Mitogen-activated protein kinase 1 | Authors: | Yin, J, Jaiswal, B.S, Wang, W. | Deposit date: | 2018-04-19 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | ERK Mutations and Amplification Confer Resistance to ERK-Inhibitor Therapy. Clin. Cancer Res., 24, 2018
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7K0G
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![BU of 7k0g by Molmil](/molmil-images/mine/7k0g) | 1.85 A resolution structure of SARS-CoV 3CL protease in complex with deuterated GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-09-04 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection. Proc.Natl.Acad.Sci.USA, 118, 2021
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7K0H
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![BU of 7k0h by Molmil](/molmil-images/mine/7k0h) | 1.70 A resolution structure of SARS-CoV 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | Descriptor: | CHLORIDE ION, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, Replicase polyprotein 1a, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-09-04 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection. Proc.Natl.Acad.Sci.USA, 118, 2021
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7K0E
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![BU of 7k0e by Molmil](/molmil-images/mine/7k0e) | 1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-09-04 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MLM
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![BU of 7mlm by Molmil](/molmil-images/mine/7mlm) | Crystal structure of mouse TLR4/MD-2 in complex with sulfatides | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Su, L, Beutler, B. | Deposit date: | 2021-04-28 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Sulfatides are endogenous ligands for the TLR4-MD-2 complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M5O
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![BU of 7m5o by Molmil](/molmil-images/mine/7m5o) | Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA | Descriptor: | CasPhi, ZINC ION, crRNA | Authors: | Pausch, P, Soczek, K, Nogales, E, Doudna, J. | Deposit date: | 2021-03-24 | Release date: | 2021-08-04 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | DNA interference states of the hypercompact CRISPR-Cas Phi effector. Nat.Struct.Mol.Biol., 28, 2021
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7MF4
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1ZXV
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![BU of 1zxv by Molmil](/molmil-images/mine/1zxv) | |
6CBV
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![BU of 6cbv by Molmil](/molmil-images/mine/6cbv) | Crystal structure of BRIL bound to an affinity matured synthetic antibody. | Descriptor: | BRIL, FORMIC ACID, GLYCEROL, ... | Authors: | Mukherjee, S, Skrobek, B, Kossiakoff, A.A. | Deposit date: | 2018-02-05 | Release date: | 2019-02-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun, 11, 2020
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6CC1
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7KM6
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![BU of 7km6 by Molmil](/molmil-images/mine/7km6) | APOBEC3B antibody 5G7 Fv-clasp | Descriptor: | 1,2-ETHANEDIOL, 5G7 human monoclonal FAB heavy chain, 5G7 human monoclonal FAB light chain, ... | Authors: | Tang, H, Shi, K, Aihara, H. | Deposit date: | 2020-11-02 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Characterization of a Minimal Antibody against Human APOBEC3B. Viruses, 13, 2021
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6CQM
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![BU of 6cqm by Molmil](/molmil-images/mine/6cqm) | Crystal Structure of mitochondrial single-stranded DNA binding proteins from S. cerevisiae, Rim1 (Form2) | Descriptor: | Single-stranded DNA-binding protein RIM1, mitochondrial | 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: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 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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7KHT
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![BU of 7kht by Molmil](/molmil-images/mine/7kht) | The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor Steroidogenic Factor-1 (SF-1) | Descriptor: | (2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha peptide, Steroidogenic factor 1 | Authors: | Blind, R.D. | Deposit date: | 2020-10-22 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor steroidogenic factor-1. J.Lipid Res., 62, 2021
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7KQ1
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![BU of 7kq1 by Molmil](/molmil-images/mine/7kq1) | PCNA bound to truncated peptide mimetic | Descriptor: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | Authors: | Vandborg, B.A, Bruning, J.B. | Deposit date: | 2020-11-13 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA. J.Biol.Chem., 296, 2021
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7KR6
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7KQ0
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![BU of 7kq0 by Molmil](/molmil-images/mine/7kq0) | PCNA bound to peptide mimetic | Descriptor: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-TYR-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | Authors: | Vandborg, B.A, Bruning, J.B. | Deposit date: | 2020-11-13 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA. J.Biol.Chem., 296, 2021
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6ATN
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6AVD
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![BU of 6avd by Molmil](/molmil-images/mine/6avd) | |
7L0E
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6B1X
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![BU of 6b1x by Molmil](/molmil-images/mine/6b1x) | Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by soaking | Descriptor: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | van den Akker, F, Nguyen, N.Q. | Deposit date: | 2017-09-19 | Release date: | 2018-08-01 | Method: | X-RAY DIFFRACTION (1.45 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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2PU2
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![BU of 2pu2 by Molmil](/molmil-images/mine/2pu2) | AmpC beta-lactamase with bound Phthalamide inhibitor | Descriptor: | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION | Authors: | Babaoglu, K, Shoichet, B.K. | Deposit date: | 2007-05-08 | Release date: | 2008-04-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J.Med.Chem., 51, 2008
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2OTZ
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6AX1
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![BU of 6ax1 by Molmil](/molmil-images/mine/6ax1) | Structure of human monoacylglycerol lipase bound to a covalent inhibitor | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase | Authors: | Pandit, J. | Deposit date: | 2017-09-06 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase. J. Med. Chem., 60, 2017
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6DWJ
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![BU of 6dwj by Molmil](/molmil-images/mine/6dwj) | SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7LNK
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![BU of 7lnk by Molmil](/molmil-images/mine/7lnk) | |