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9BZB
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BU of 9bzb by Molmil
Crystal structure of metallo-hydrolase-like_MBL-fold protein from Salmonella typhimurium LT2
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, SULFATE ION, ...
著者Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
登録日2024-05-24
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of metallo-hydrolase-like_MBL-fold protein from Salmonella typhimurium LT2
To Be Published
8Z5L
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BU of 8z5l by Molmil
Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor
分子名称: 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Kamo, T, Kuroda, K, Nimura, S, Guo, Y, Kondo, S, Nukaga, M, Hoshino, T.
登録日2024-04-18
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Development of Inhibitory Compounds for Metallo-beta-lactamase through Computational Design and Crystallographic Analysis.
Biochemistry, 63, 2024
8R5U
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BU of 8r5u by Molmil
VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
分子名称: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
8R5T
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BU of 8r5t by Molmil
Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
分子名称: Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
8U00
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BU of 8u00 by Molmil
Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
登録日2023-08-28
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides
To Be Published
8PJM
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BU of 8pjm by Molmil
Metallo beta-lactamase VIM2 with compound AK110
分子名称: Beta-lactamase VIM-2, CHLORIDE ION, SODIUM ION, ...
著者Lucic, A, Hinchliffe, P, Schofield, C.
登録日2023-06-23
公開日2023-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Metallo beta-lactamase VIM2 with compound AK110
To Be Published
8PAN
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BU of 8pan by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2653
分子名称: 7-[(1~{S})-1-[4-(aminomethyl)phenoxy]ethyl]-3-[3-fluoranyl-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2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2653
To Be Published
8PAM
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BU of 8pam by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2652
分子名称: 7-[(1~{R})-1-[[4-(aminomethyl)phenyl]methoxy]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2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2652
To Be Published
8PAO
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BU of 8pao by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2654
分子名称: 7-[(1~{S})-1-[4-[(2-azanylethylsulfonylamino)methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-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2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2654
To Be Published
8PAL
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BU of 8pal by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2651
分子名称: 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]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2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2651
To Be Published
8PB2
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BU of 8pb2 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2697
分子名称: 7-[(1~{S})-1-[4-(carbamimidamidomethyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-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2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2697
To Be Published
8PB0
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BU of 8pb0 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2696
分子名称: 7-[(1~{S})-1-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-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2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2696
To Be Published
8PAA
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BU of 8paa by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2552
分子名称: 7-[(1~{S})-1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2552
To Be Published
8PA3
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BU of 8pa3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2500
分子名称: 7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2500
To Be Published
8PA5
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BU of 8pa5 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2540
分子名称: 3-(3-ethoxy-5-methyl-pyridin-4-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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2540
To Be Published
8PAH
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BU of 8pah by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2596
分子名称: 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2596
To Be Published
8PA8
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BU of 8pa8 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2551
分子名称: 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2551
To Be Published
8PA4
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BU of 8pa4 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2526
分子名称: 3-[4-(carbamimidamidomethyl)-3-fluoranyl-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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2526
To Be Published
8PA7
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BU of 8pa7 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2546
分子名称: 3-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2546
To Be Published
8PAD
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BU of 8pad by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2555
分子名称: 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2555
To Be Published
8PAC
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BU of 8pac by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2553
分子名称: 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2553
To Be Published
8P9Q
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BU of 8p9q by Molmil
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
8P9T
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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
8P9P
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BU of 8p9p by Molmil
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
8P9S
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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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件を2024-07-10に公開中

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