7YHD
 
 | | 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
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7YH9
 | | 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
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7YRP
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7CHV
 | | Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid | | Descriptor: | 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Li, G.-B. | | Deposit date: | 2020-07-06 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021
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7CJL
 | | Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide | | Descriptor: | (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y. | | Deposit date: | 2020-07-11 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors.
Rsc Adv, 10, 2020
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2BG2
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20mM ZnSO4 in the buffer. 1mM DTT and 1mM TCEP- HCl were used as reducing agents. Cys221 is reduced. | | Descriptor: | BETA-LACTAMASE II, CHLORIDE ION, GLYCEROL, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-16 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism.
Biochemistry, 44, 2005
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7DCK
 | | Crystal structure of phosphodiesterase tw9814 | | Descriptor: | Lactamase_B domain-containing protein, MANGANESE (II) ION | | Authors: | Heo, Y, Yun, J.H, Park, J.H, Park, S.B, Cha, S.S, Lee, W. | | Deposit date: | 2020-10-26 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | 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
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2BFK
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent | | Descriptor: | AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-07 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
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2BFL
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent. | | Descriptor: | AZIDE ION, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-08 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
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2BFZ
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. | | Descriptor: | AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-16 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
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2BG6
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. | | Descriptor: | AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-17 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
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2BGA
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. | | Descriptor: | AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-17 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
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2BG7
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. | | Descriptor: | BETA-LACTAMASE II, GLYCEROL, SULFATE ION, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-17 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
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2BG8
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT and 1mM TCEP-HCl were used as reducing agents. | | Descriptor: | BETA-LACTAMASE II, GLYCEROL, SULFATE ION, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-17 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
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2BR6
 | | Crystal Structure of Quorum-Quenching N-Acyl Homoserine Lactone Lactonase | | Descriptor: | AIIA-LIKE PROTEIN, GLYCEROL, HOMOSERINE LACTONE, ... | | Authors: | Kim, M.H, Choi, W.C, Kang, H.O, Kang, B.S, Kim, K.J, Derewenda, Z.S, Lee, J.K, Oh, T.K, Lee, C.H. | | Deposit date: | 2005-05-03 | | Release date: | 2005-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Molecular Structure and Catalytic Mechanism of a Quorum-Quenching N-Acyl-L-Homoserine Lactone Hydrolase.
Proc.Natl.Acad.Sci.USA, 102, 2005
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2BTN
 | | Crystal Structure and Catalytic Mechanism of the Quorum-Quenching N- Acyl Homoserine Lactone Hydrolase | | Descriptor: | AIIA-LIKE PROTEIN, GLYCEROL, ZINC ION | | Authors: | Kim, M.H, Choi, W.C, Kang, H.O, Lee, J.S, Kang, B.S, Kim, K.J, Derewenda, Z.S, Oh, T.K, Lee, C.H, Lee, J.K. | | Deposit date: | 2005-06-03 | | Release date: | 2005-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Molecular Structure and Catalytic Mechanism of a Quorum-Quenching N-Acyl-L-Homoserine Lactone Hydrolase.
Proc.Natl.Acad.Sci.USA, 102, 2005
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7DV0
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7DUE
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7DUZ
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7DUY
 | | Crystal structure of VIM-2 MBL in complex with 1-(2-(1H-1,2,3-triazol-1-yl)ethyl)-1H-imidazole-2-carboxylic acid | | Descriptor: | 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | 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 (1.999 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
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7DV1
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7DUX
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7DU1
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7DYZ
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7DUB
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