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7DZ1
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Crystal structure of VIM-2 MBL in complex with 1-benzyl-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DZ0
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Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.227 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7BJ9
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BU of 7bj9 by Molmil
Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-01-14
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21000588 Å)
主引用文献2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
7BJ8
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Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-01-14
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
7DUY
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Crystal structure of VIM-2 MBL in complex with 1-(2-(1H-1,2,3-triazol-1-yl)ethyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DV0
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Crystal structure of VIM-2 MBL in complex with 1-(4-(trifluoromethyl)benzyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUX
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Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-1H-imidazole-2-carboxylic acid
分子名称: 1-but-3-enylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DV1
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Crystal structure of VIM-2 MBL in complex with 1-(4-hydroxybenzyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.966 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUZ
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Crystal structure of VIM-2 MBL in complex with 1-cyclobutyl-1H-imidazole-2-carboxylic acid
分子名称: 1-cyclobutylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUE
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Crystal structure of VIM-2 MBL in complex with (R)-1-(sec-butyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-08
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUB
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BU of 7dub by Molmil
Crystal structure of VIM-2 MBL in complex with 1-isopropyl-1H-imidazole-2-carboxylic acid
分子名称: 1-propan-2-ylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-08
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DU1
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Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid
分子名称: 1-propylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-07
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DTM
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Crystal structure of metallo-beta-lactamase IMP-1 in complex with citrate.
分子名称: CITRATE ANION, Metallo-beta-lactamase type 2, ZINC ION
著者Yamaguchi, Y, Kurosaki, H.
登録日2021-01-06
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Metallo-beta-Lactamase (IMP-1) and Its D120E Mutant in Complexes with Citrate and the Inhibitory Effect of the Benzyl Group in Citrate Monobenzyl Ester.
J.Med.Chem., 64, 2021
7DTN
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Crystal structure of metallo-beta-lactamase IMP-1 mutant (D120E) in complex with citrate.
分子名称: 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, Metallo-beta-lactamase type 2, ...
著者Yamaguchi, Y, Kurosaki, H.
登録日2021-01-06
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of Metallo-beta-Lactamase (IMP-1) and Its D120E Mutant in Complexes with Citrate and the Inhibitory Effect of the Benzyl Group in Citrate Monobenzyl Ester.
J.Med.Chem., 64, 2021
7L91
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Structure of Metallo Beta-Lactamase L1 in a Complex with Hydrolyzed Moxalactam Determined by Pink-Beam Serial Crystallography
分子名称: (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION
著者Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Vukica, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-01-01
公開日2022-02-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
7L5F
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BU of 7l5f by Molmil
Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co
分子名称: 4-(decanoylamino)butanoic acid, COBALT (II) ION, GLYCEROL, ...
著者Mascarenhas, R.N, Liu, D.
登録日2020-12-22
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Cyclobutanone Inhibitor of Cobalt-Functionalized Metallo-gamma-Lactonase AiiA with Cyclobutanone Ring Opening in the Active Site.
Acs Omega, 6, 2021
7L52
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Crystal Structure of the Metallo Beta Lactamase L1 from Stenotrophomonas maltophilia Determined by Serial Crystallography
分子名称: Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION
著者Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Maltseva, N, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-21
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Metallo Beta Lactamase L1 from Stenotrophomonas maltophilia Determined by Serial Crystallography
To Be Published
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
7DCK
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Crystal structure of phosphodiesterase tw9814
分子名称: Lactamase_B domain-containing protein, MANGANESE (II) ION
著者Heo, Y, Yun, J.H, Park, J.H, Park, S.B, Cha, S.S, Lee, W.
登録日2020-10-26
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural and functional identification of the uncharacterized metallo-beta-lactamase superfamily protein TW9814 as a phosphodiesterase with unique metal coordination.
Acta Crystallogr D Struct Biol, 78, 2022
7KGX
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Structure of PQS Response Protein PqsE in Complex with 4-(3-(2-methyl-2-morpholinobutyl)ureido)-N-(thiazol-2-yl)benzamide
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, 4-({[(2R)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-N-(1,3-thiazol-2-yl)benzamide, FE (III) ION
著者Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
登録日2020-10-19
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitor Mimetic Mutations in the Pseudomonas aeruginosa PqsE Enzyme Reveal a Protein-Protein Interaction with the Quorum-Sensing Receptor RhlR That Is Vital for Virulence Factor Production.
Acs Chem.Biol., 16, 2021
7KGW
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Structure of PQS Response Protein PqsE in Complex N-(3-(1H-pyrazol-5-yl)phenyl)-1H-indazole-7-carboxamide
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, FE (III) ION, N-[3-(1H-pyrazol-3-yl)phenyl]-1H-indazole-7-carboxamide
著者Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
登録日2020-10-19
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Inhibitor Mimetic Mutations in the Pseudomonas aeruginosa PqsE Enzyme Reveal a Protein-Protein Interaction with the Quorum-Sensing Receptor RhlR That Is Vital for Virulence Factor Production.
Acs Chem.Biol., 16, 2021
7AFX
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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
7AFZ
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L1 metallo-b-lactamase with compound EBL-1306
分子名称: 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J, Brem, 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 (1.5 Å)
主引用文献Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
7AFY
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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
7AEZ
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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

222415

件を2024-07-10に公開中

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