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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
7DU1
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BU of 7du1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-propylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-07
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 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
8HYC
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BU of 8hyc by Molmil
Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.151 Å)
Cite:2-Aminothiazole-4-carboxylic acids as cross-class metallo-beta-lactamase inhibitors by mimicking beta-lactam hydrolysate binding
To Be Published
7BJ9
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BU of 7bj9 by Molmil
Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a
Descriptor: (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2021-01-14
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21000588 Å)
Cite: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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BU of 7bj8 by Molmil
Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Descriptor: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2021-01-14
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
7EV5
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BU of 7ev5 by Molmil
Crystal structure of BLEG-1 B3 metallo-beta-lactamase
Descriptor: IODIDE ION, Lactamase_B domain-containing protein, ZINC ION
Authors:Au, S.X, Muhd Noor, N.D, Matsumura, H, Rahman, R.N.Z.R.A, Normi, Y.M.
Deposit date:2021-05-20
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Dual Activity BLEG-1 from Bacillus lehensis G1 Revealed Structural Resemblance to B3 Metallo-beta-Lactamase and Glyoxalase II: An Insight into Its Enzyme Promiscuity and Evolutionary Divergence.
Int J Mol Sci, 22, 2021
8JAO
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BU of 8jao by Molmil
Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2023-05-06
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
7CT2
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BU of 7ct2 by Molmil
New Delhi metallo-beta-lactamase 1 (NDM1) mutant - H116Q
Descriptor: Metallo beta lactamase NDM-1
Authors:Kong, W.P, Chen, Y.W, Wong, K.Y.
Deposit date:2020-08-17
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of the H116Q mutant of NDM-1: An enzyme devoid of zinc ions.
J.Struct.Biol., 214, 2022
7DTM
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BU of 7dtm by Molmil
Crystal structure of metallo-beta-lactamase IMP-1 in complex with citrate.
Descriptor: CITRATE ANION, Metallo-beta-lactamase type 2, ZINC ION
Authors:Yamaguchi, Y, Kurosaki, H.
Deposit date:2021-01-06
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 7dtn by Molmil
Crystal structure of metallo-beta-lactamase IMP-1 mutant (D120E) in complex with citrate.
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, Metallo-beta-lactamase type 2, ...
Authors:Yamaguchi, Y, Kurosaki, H.
Deposit date:2021-01-06
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
2BR6
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BU of 2br6 by Molmil
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
2BFZ
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BU of 2bfz by Molmil
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
2BG2
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BU of 2bg2 by Molmil
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
2BG7
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BU of 2bg7 by Molmil
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
2BFL
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BU of 2bfl by Molmil
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
2BFK
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BU of 2bfk by Molmil
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
2BG6
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BU of 2bg6 by Molmil
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
2BG8
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BU of 2bg8 by Molmil
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
2BTN
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BU of 2btn by Molmil
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
2BGA
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BU of 2bga by Molmil
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
2BC2
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BU of 2bc2 by Molmil
METALLO BETA-LACTAMASE II FROM BACILLUS CEREUS 569/H/9 AT PH 6.0, TRIGONAL CRYSTAL FORM
Descriptor: METALLO BETA-LACTAMASE II, SULFATE ION, ZINC ION
Authors:Fabiane, S.M, Sutton, B.J.
Deposit date:1997-09-09
Release date:1999-04-20
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Null
To be Published
2AIO
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BU of 2aio by Molmil
Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam
Descriptor: (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Spencer, J, Read, J, Sessions, R.B, Howell, S, Blackburn, G.M, Gamblin, S.J.
Deposit date:2005-07-30
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography
J.Am.Chem.Soc., 127, 2005

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数据于2024-07-10公开中

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