8HXI
 
 | | Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-isopropylbenzyl)thiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1 type 3, ... | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-04 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXN
 | | Crystal structure of B2 Sfh-I MBL in complex with 2-amino-5-(4-(but-3-en-1-yloxy)benzyl)thiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ETHANOL, ... | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-05 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXO
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-isobutylthiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ... | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-05 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXP
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(but-3-en-1-yl)thiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-05 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXU
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-pentylthiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-05 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.945 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXV
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-hexylthiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-05 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.603 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HXW
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-heptylthiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-05 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HY1
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(thiophen-2-ylmethyl)thiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-05 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.937 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HY2
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-05 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HY6
 | | Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-05 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HYB
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8HYC
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8HYD
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid | | 分子名称: | 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | 著者 | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | 登録日 | 2023-01-06 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8I52
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8I8F
 | | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION | | 著者 | Shi, X, Liu, W. | | 登録日 | 2023-02-04 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
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8JAO
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8P8Y
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 1657 | | 分子名称: | 3-(2-acetamido-1,3-benzothiazol-7-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-04 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 1657
To Be Published
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8P8Z
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 1963 | | 分子名称: | 3-[3-cyano-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-04 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 1963
To Be Published
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8P92
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2117 | | 分子名称: | 3-[(1~{S})-1-phenylethoxy]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-05 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2117
To Be Published
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8P93
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2163 | | 分子名称: | 3-[3-fluoranyl-4-[(piperidin-4-ylsulfonylamino)methyl]phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-05 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2163
To Be Published
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8P95
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2407 | | 分子名称: | 3-(2-ethoxypyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-05 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2407
To Be Published
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8P9P
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2408 | | 分子名称: | 3-(2-ethoxy-5-fluoranyl-pyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-06 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2408
To Be Published
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8P9Q
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2455 | | 分子名称: | 7-[(1~{S})-1-acetyloxyethyl]-3-[3-fluoranyl-4-(sulfamoylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-06 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2455
To Be Published
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8P9S
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2482 | | 分子名称: | 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-06 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2482
To Be Published
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8P9T
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2483 | | 分子名称: | 7-[(1~{S})-1-(4-azanylbutanoyloxy)ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-06 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2483
To Be Published
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