7DLL
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![BU of 7dll by Molmil](/molmil-images/mine/7dll) | Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH | Descriptor: | (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-11-28 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DMG
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![BU of 7dmg by Molmil](/molmil-images/mine/7dmg) | Short chain dehydrogenase 2 (SCR2) crystal structure with NADP | Descriptor: | (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-12-03 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DN1
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![BU of 7dn1 by Molmil](/molmil-images/mine/7dn1) | Hetero-oligomers of SCR-SCR2 crystal structure with NADPH | Descriptor: | (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-12-08 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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4JDK
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![BU of 4jdk by Molmil](/molmil-images/mine/4jdk) | |
4KIP
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![BU of 4kip by Molmil](/molmil-images/mine/4kip) | |
4HKB
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![BU of 4hkb by Molmil](/molmil-images/mine/4hkb) | CH67 Fab (unbound) from the CH65-67 Lineage | Descriptor: | CH67 heavy chain, CH67 light chain | Authors: | Schmidt, A.G, Harrison, S.C. | Deposit date: | 2012-10-15 | Release date: | 2012-11-21 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
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3NRT
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![BU of 3nrt by Molmil](/molmil-images/mine/3nrt) | The crystal structure of putative ryanodine receptor from Bacteroides thetaiotaomicron VPI-5482 | Descriptor: | GLYCEROL, MAGNESIUM ION, Putative ryanodine receptor | Authors: | Wu, R, Zhang, R, James, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-06-30 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | he crystal strucutre of putative ryanodine receptor from Bacteroides thetaiotaomicron VPI-5482 To be Published
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4KIN
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![BU of 4kin by Molmil](/molmil-images/mine/4kin) | |
4NBM
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![BU of 4nbm by Molmil](/molmil-images/mine/4nbm) | Crystal structure of UVB photoreceptor UVR8 and light-induced structural changes at 180K | Descriptor: | MAGNESIUM ION, Ultraviolet-B receptor UVR8 | Authors: | Yang, X, Zeng, X, Zhao, K.-H, Ren, Z. | Deposit date: | 2013-10-23 | Release date: | 2016-10-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8. Nat Plants, 1, 2015
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6J2B
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![BU of 6j2b by Molmil](/molmil-images/mine/6j2b) | CTX-M-64 beta-lactamase S130T sulbactam complex | Descriptor: | Beta-lactamase, GLYCEROL, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2018-12-31 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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6J2O
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![BU of 6j2o by Molmil](/molmil-images/mine/6j2o) | Crystal structure of CTX-M-64 clavulanic acid complex | Descriptor: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2019-01-02 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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6J25
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![BU of 6j25 by Molmil](/molmil-images/mine/6j25) | CTX-M-64 beta-lactamase mutant-S130T | Descriptor: | Beta-lactamase | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2018-12-30 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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6ITY
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![BU of 6ity by Molmil](/molmil-images/mine/6ity) | CTX-M-64 sulbactam complex | Descriptor: | ACRYLIC ACID, Beta-lactamase, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2018-11-26 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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6J2K
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![BU of 6j2k by Molmil](/molmil-images/mine/6j2k) | CTX-M-64 beta-lactamase S130T clavulanic acid complex | Descriptor: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2019-01-01 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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5V85
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![BU of 5v85 by Molmil](/molmil-images/mine/5v85) | The crystal structure of the protein of DegV family COG1307 from Ruminococcus gnavus ATCC 29149 (alternative refinement of PDB 3JR7 with Vaccenic acid) | Descriptor: | EDD domain protein, DegV family, PHOSPHATE ION, ... | Authors: | Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2017-03-21 | Release date: | 2018-11-21 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution J.Biol.Chem., 2018
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7CBZ
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![BU of 7cbz by Molmil](/molmil-images/mine/7cbz) | Crystal structure of T2R-TTL-A31 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ... | Authors: | Yang, J.H, Yan, W. | Deposit date: | 2020-06-15 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure. J.Med.Chem., 64, 2021
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1IDY
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![BU of 1idy by Molmil](/molmil-images/mine/1idy) | |
1IDZ
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![BU of 1idz by Molmil](/molmil-images/mine/1idz) | |
7ENQ
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![BU of 7enq by Molmil](/molmil-images/mine/7enq) | Crystal structure of human NAMPT in complex with compound NAT | Descriptor: | 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y. | Deposit date: | 2021-04-19 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.204966 Å) | Cite: | Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity. Cell Res., 32, 2022
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7EPW
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![BU of 7epw by Molmil](/molmil-images/mine/7epw) | Crystal structure of monooxygenase Tet(X4) with tigecycline | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, TIGECYCLINE | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2021-04-28 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline. Bmc Biol., 19, 2021
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7EPV
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![BU of 7epv by Molmil](/molmil-images/mine/7epv) | Crystal structure of tigecycline degrading monooxygenase Tet(X4) | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, GLYCEROL | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2021-04-27 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline. Bmc Biol., 19, 2021
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7UYD
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![BU of 7uyd by Molmil](/molmil-images/mine/7uyd) | Inhibitor bound VIM1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYC
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![BU of 7uyc by Molmil](/molmil-images/mine/7uyc) | Inhibitor bound VIM1 | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYA
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![BU of 7uya by Molmil](/molmil-images/mine/7uya) | Inhibitor bound VIM1 | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYB
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![BU of 7uyb by Molmil](/molmil-images/mine/7uyb) | Inhibitor bound VIM1 | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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