7XBO
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![BU of 7xbo by Molmil](/molmil-images/mine/7xbo) | Crystal Structure of 10-dml-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | New mechanistic insight of cytochrome P450 PikC gained from site-specific mutagenesis by non-coding amino acids Nat Commun, 2023
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7XBN
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![BU of 7xbn by Molmil](/molmil-images/mine/7xbn) | Crystal Structure of YC-17-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New mechanistic insight of cytochrome P450 PikC gained from site-specific mutagenesis by non-coding amino acids Nat Commun, 2023
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7XBM
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![BU of 7xbm by Molmil](/molmil-images/mine/7xbm) | Crystal Structure of cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | CACODYLATE ION, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 Nat Commun, 2023
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7BQA
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![BU of 7bqa by Molmil](/molmil-images/mine/7bqa) | Crystal structure of ASFV p35 | Descriptor: | 60 kDa polyprotein | Authors: | Li, G.B, Fu, D, Chen, C, Guo, Y. | Deposit date: | 2020-03-24 | Release date: | 2020-06-24 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Crystal structure of the African swine fever virus structural protein p35 reveals its role for core shell assembly. Protein Cell, 11, 2020
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6LJB
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![BU of 6ljb by Molmil](/molmil-images/mine/6ljb) | |
5LCF
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![BU of 5lcf by Molmil](/molmil-images/mine/5lcf) | VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30) | Descriptor: | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-06-21 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5LE1
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![BU of 5le1 by Molmil](/molmil-images/mine/5le1) | VIM-2 metallo-beta-lactamase in complex with 2-(2-chloro-6-fluorobenzyl)-3-oxoisoindoline-4-carboxylic acid (compound 16) | Descriptor: | 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, GLYCEROL, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-06-29 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5N4S
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![BU of 5n4s by Molmil](/molmil-images/mine/5n4s) | VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-D-tryptophan (Compound 3) | Descriptor: | (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-11 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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5N58
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![BU of 5n58 by Molmil](/molmil-images/mine/5n58) | di-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1) | Descriptor: | (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, GLYCEROL, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-13 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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5NAI
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![BU of 5nai by Molmil](/molmil-images/mine/5nai) | mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1) | Descriptor: | (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, FLUORIDE ION, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-28 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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5LCH
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![BU of 5lch by Molmil](/molmil-images/mine/5lch) | VIM-2 metallo-beta-lactamase in complex with (S)-1-allyl-2-(3-methoxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 42) | Descriptor: | (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid, Metallo-beta-lactamase VIM-2, ZINC ION | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-06-21 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5LCA
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![BU of 5lca by Molmil](/molmil-images/mine/5lca) | VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17) | Descriptor: | 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase VIM-2, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-06-20 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5N55
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![BU of 5n55 by Molmil](/molmil-images/mine/5n55) | mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan (Compound 2) | Descriptor: | (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan, Class B metallo-beta-lactamase, ZINC ION | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-13 | Release date: | 2017-05-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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5N4T
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![BU of 5n4t by Molmil](/molmil-images/mine/5n4t) | VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4) | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, BENZOIC ACID, Beta-lactamase VIM-2, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-11 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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5LM6
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![BU of 5lm6 by Molmil](/molmil-images/mine/5lm6) | VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35) | Descriptor: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, Metallo-beta-lactamase VIM-2, ... | Authors: | Li, G.-B, Brem, J, Someya, H, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-07-29 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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8GUE
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![BU of 8gue by Molmil](/molmil-images/mine/8gue) | Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-09-11 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids. Nat Commun, 14, 2023
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6LJ9
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![BU of 6lj9 by Molmil](/molmil-images/mine/6lj9) | |
6LJN
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![BU of 6ljn by Molmil](/molmil-images/mine/6ljn) | |
6LJK
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![BU of 6ljk by Molmil](/molmil-images/mine/6ljk) | |
6KZ6
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![BU of 6kz6 by Molmil](/molmil-images/mine/6kz6) | Crystal structure of ASFV dUTPase | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R, MAGNESIUM ION | Authors: | Guo, Y, Chen, C, Li, G.B, Cao, L, Wang, C.W. | Deposit date: | 2019-09-23 | Release date: | 2019-11-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | Structural Insight into African Swine Fever Virus dUTPase Reveals a Novel Folding Pattern in the dUTPase Family. J.Virol., 94, 2020
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5EZY
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![BU of 5ezy by Molmil](/molmil-images/mine/5ezy) | Crystal structure of T2R-TTL-taccalonolide AJ complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-11-27 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Mechanism of microtubule stabilization by taccalonolide AJ Nat Commun, 8, 2017
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8XGY
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![BU of 8xgy by Molmil](/molmil-images/mine/8xgy) | |
8XGT
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![BU of 8xgt by Molmil](/molmil-images/mine/8xgt) | |
8XGB
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![BU of 8xgb by Molmil](/molmil-images/mine/8xgb) | |
8XGA
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![BU of 8xga by Molmil](/molmil-images/mine/8xga) | |