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PDB: 12 件
5ZIO
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BU of 5zio by Molmil
Crystal structure of NDM-1 in complex with L-captopril
分子名称: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-16
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
5ZJ2
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BU of 5zj2 by Molmil
Crystal structure of NDM-1 in complex with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-18
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
6LJ1
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BU of 6lj1 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02127 monomer
分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.151 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ2
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BU of 6lj2 by Molmil
Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer
分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, HYDROXIDE ION, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ5
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BU of 6lj5 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04145
分子名称: 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ0
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BU of 6lj0 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02122
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ6
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BU of 6lj6 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss05008
分子名称: 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ4
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BU of 6lj4 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04146
分子名称: (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ8
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BU of 6lj8 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04134
分子名称: 1,2-ETHANEDIOL, 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LIP
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BU of 6lip by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss0218
分子名称: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-12
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LIZ
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BU of 6liz by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02120
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ7
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BU of 6lj7 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss05010
分子名称: 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020

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件を2024-07-10に公開中

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