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PDB: 515 件
7A1Q
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BU of 7a1q by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
分子名称: 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-08-13
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1P
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BU of 7a1p by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 4-propyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
分子名称: (4~{S})-2-oxidanylidene-4-propyl-pentanedioic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-08-13
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1M
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BU of 7a1m by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-propyl-2-oxoglutarate
分子名称: 3-propyl-2-oxoglutarate, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-08-13
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1N
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BU of 7a1n by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-methyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
分子名称: (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-08-13
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7AYJ
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BU of 7ayj by Molmil
Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor.
分子名称: 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J.
登録日2020-11-12
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates.
Acs Infect Dis., 7, 2021
8P47
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BU of 8p47 by Molmil
IPNS variant N252A in complex with Fe and ACV under anaerobic conditions
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2023-05-19
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献IPNS variant N252A in complex with Fe and ACV under anaerobic conditions
To Be Published
8P46
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BU of 8p46 by Molmil
IPNS variant N252D in complex with Fe and IPN after O2 exposure
分子名称: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
著者Rabe, P, Schofield, C.J.
登録日2023-05-19
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献IPNS variant N252D in complex with Fe and IPN after O2 exposure
To Be Published
8P48
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BU of 8p48 by Molmil
IPNS variant N252D in complex with Fe and ACV under anaerobic conditions
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2023-05-19
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献IPNS variant N252D in complex with Fe and ACV under anaerobic conditions
To Be Published
7AFX
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BU of 7afx by Molmil
Crystal structure of the metallo-beta-lactamase VIM2 with 139
分子名称: 3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Brem, J, Schofield, C.J.
登録日2020-09-21
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.636 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM2 with 139
To Be Published
7AEZ
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BU of 7aez by Molmil
Crystal structure of the metallo-beta-lactamase NDM-7 with 407
分子名称: 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, ...
著者Brem, J, Schofield, C.J.
登録日2020-09-18
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.018 Å)
主引用文献Not available yet
To Be Published
7AFY
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BU of 7afy by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 1306
分子名称: 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, SODIUM ION, ...
著者Brem, J, Schofield, C.J.
登録日2020-09-21
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.105 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM2 with 139
To Be Published
7B3S
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BU of 7b3s by Molmil
OXA-10 beta-lactamase with S67Dha modification
分子名称: Beta-lactamase OXA-10, CARBON DIOXIDE, SODIUM ION, ...
著者Lang, P.A, Brem, J, Schofield, C.J.
登録日2020-12-01
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
7B3U
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BU of 7b3u by Molmil
OXA-10 beta-lactamase with covalent modification
分子名称: Beta-lactamase OXA-10, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Lang, P.A, Brem, J, Schofield, C.J.
登録日2020-12-01
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
7B3R
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BU of 7b3r by Molmil
OXA-10 beta-lactamase with S64Dha modification and lysinoalanine crosslink
分子名称: Beta-lactamase OXA-10, SODIUM ION
著者Lang, P.A, Brem, J, Schofield, C.J.
登録日2020-12-01
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
8P93
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BU of 8p93 by Molmil
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
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
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
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
8P8Z
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BU of 8p8z by Molmil
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
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
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
8P8Y
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BU of 8p8y by Molmil
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
8P9T
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BU of 8p9t by Molmil
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
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

226707

件を2024-10-30に公開中

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