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7DV0
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BU of 7dv0 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(4-(trifluoromethyl)benzyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.601 Å)
Cite: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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BU of 7dux by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-but-3-enylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.981 Å)
Cite: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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BU of 7dv1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(4-hydroxybenzyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.966 Å)
Cite: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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BU of 7duz by Molmil
Crystal structure of VIM-2 MBL in complex with 1-cyclobutyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-cyclobutylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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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BU of 7due by Molmil
Crystal structure of VIM-2 MBL in complex with (R)-1-(sec-butyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-08
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.799 Å)
Cite: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
Descriptor: 1-propan-2-ylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-08
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7YHD
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BU of 7yhd by Molmil
Crystal structure of VIM-2 MBL in complex with 3-(4-(4-(2-aminoethoxy)phenyl)-1H-1,2,3-triazol-1-yl)phthalic acid
Descriptor: 3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YHB
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BU of 7yhb by Molmil
Crystal structure of VIM-2 MBL in complex with (2-(4-phenyl-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid
Descriptor: Beta-lactamase class B VIM-2, ZINC ION, [2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YH9
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BU of 7yh9 by Molmil
Crystal structure of IMP-1 MBL in complex with 3-(4-benzyl-1H-1,2,3-triazol-1-yl)phthalic acid
Descriptor: 3-[4-(phenylmethyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B IMP-1, ZINC ION
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YHA
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BU of 7yha by Molmil
Crystal structure of IMP-1 MBL in complex with (3-(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid
Descriptor: Beta-lactamase class B IMP-1, ZINC ION, [3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.135 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7YHC
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BU of 7yhc by Molmil
Crystal structure of VIM-2 MBL in complex with 3-(4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl)phthalic acid
Descriptor: 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2022-07-13
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7DML
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BU of 7dml by Molmil
OXA-48 carbapenemase in complex with (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
Descriptor: 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, Beta-lactamase
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2020-12-04
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Design and enantioselective synthesis of 3-(alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance
Chem.Commun.(Camb.), 57, 2021
7E9A
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BU of 7e9a by Molmil
Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S))
Descriptor: 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-03-03
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance.
Chem.Commun.(Camb.), 57, 2021
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