5N4S
 
 | | VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-D-tryptophan (Compound 3) | | 分子名称: | (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, ... | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2017-02-11 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
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5N58
 | | di-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1) | | 分子名称: | (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, ... | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.957 Å) | | 主引用文献 | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
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5NAI
 | | mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1) | | 分子名称: | (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, ... | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2017-02-28 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
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5N55
 | | mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan (Compound 2) | | 分子名称: | (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan, Class B metallo-beta-lactamase, ZINC ION | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
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5OP6
 | | Factor Inhibiting HIF (FIH) in complex with zinc and GSK128863 | | 分子名称: | 2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | 著者 | Leissing, T.M, Schofield, C.J, Clifton, I.J, Thinnes, C.C, Lu, X. | | 登録日 | 2017-08-09 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5MOF
 | | Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form in complex with manganese and 2-oxoglutarate | | 分子名称: | 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, CHLORIDE ION, ... | | 著者 | McDonough, M.A, Zhang, Z, Schofield, C.J. | | 登録日 | 2016-12-14 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5OPC
 | | Factor Inhibiting HIF (FIH) in complex with zinc and Vadadustat | | 分子名称: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | 著者 | Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X, Zhang, D. | | 登録日 | 2017-08-09 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5OX6
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat | | 分子名称: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Chowdhury, R, Zhang, D, Schofield, C.J. | | 登録日 | 2017-09-06 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5N4T
 | | VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4) | | 分子名称: | (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, ... | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2017-02-11 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
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5OP8
 | | Factor Inhibiting HIF (FIH) in complex with zinc and Molidustat | | 分子名称: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | 著者 | Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X. | | 登録日 | 2017-08-09 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5OX5
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | | 分子名称: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | | 著者 | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | | 登録日 | 2017-09-06 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5K48
 | | VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid | | 分子名称: | 4-phenyl-2-(sulfanylmethyl)benzoic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | | 著者 | Zollman, D, McDonough, M, Brem, J, Schofield, C. | | 登録日 | 2016-05-20 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.744 Å) | | 主引用文献 | In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-beta-lactamase Inhibitors.
J. Med. Chem., 61, 2018
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5L9V
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5LAS
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5LB6
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5LBE
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5LBC
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5LBB
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5L9B
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5LA9
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5L9R
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5LBF
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5LAT
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5LCH
 | | VIM-2 metallo-beta-lactamase in complex with (S)-1-allyl-2-(3-methoxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 42) | | 分子名称: | (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid, Metallo-beta-lactamase VIM-2, ZINC ION | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2016-06-21 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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5LCA
 | | VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17) | | 分子名称: | 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase VIM-2, ... | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2016-06-20 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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