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4C1F
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Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril
Descriptor: BETA-LACTAMASE IMP-1, L-CAPTOPRIL, SULFATE ION, ...
Authors:Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
Deposit date:2013-08-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4C1H
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BU of 4c1h by Molmil
Crystal structure of the metallo-beta-lactamase BCII with L-captopril
Descriptor: BETA-LACTAMASE 2, GLYCEROL, L-CAPTOPRIL, ...
Authors:Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
Deposit date:2013-08-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4C09
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Crystal structure of the metallo-beta-lactamase BCII
Descriptor: BETA-LACTAMASE 2, GLYCEROL, SULFATE ION, ...
Authors:Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
Deposit date:2013-07-31
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4BP0
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BU of 4bp0 by Molmil
Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1
Descriptor: CHLORIDE ION, GLYCEROL, METALLO-B-LACTAMASE, ...
Authors:McDonough, M.A, Brem, J, Schofield, C.J.
Deposit date:2013-05-22
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1
Chem Sci, 6, 2015
4C1D
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BU of 4c1d by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with L-captopril
Descriptor: BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, L-CAPTOPRIL, ...
Authors:Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
Deposit date:2013-08-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.198 Å)
Cite:Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
6EFJ
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BU of 6efj by Molmil
Crystal structure of NDM-1 with compound 9
Descriptor: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-08-16
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
7DCK
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BU of 7dck by Molmil
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
4C1G
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Crystal structure of the metallo-beta-lactamase IMP-1 with D-captopril
Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE IMP-1, SULFATE ION, ...
Authors:Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
Deposit date:2013-08-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.714 Å)
Cite:Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4C1C
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BU of 4c1c by Molmil
Crystal structure of the metallo-beta-lactamase BCII with D-captopril
Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE 2, GLYCEROL, ...
Authors:Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
Deposit date:2013-08-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
6DD1
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BU of 6dd1 by Molmil
Crystal structure of VIM-2 complexed with compound 14
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-05-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
4AWY
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BU of 4awy by Molmil
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
Descriptor: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
Authors:Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
Deposit date:2012-06-06
Release date:2012-06-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
6EX7
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BU of 6ex7 by Molmil
Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ...
Authors:Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A.
Deposit date:2017-11-07
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
4AX1
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Q157N mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
Descriptor: ACETATE ION, CALCIUM ION, MAGNESIUM ION, ...
Authors:Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
Deposit date:2012-06-06
Release date:2012-06-20
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
4AX0
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BU of 4ax0 by Molmil
Q157A mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
Descriptor: ACETATE ION, CALCIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
Authors:Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
Deposit date:2012-06-06
Release date:2012-06-20
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
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
6DJA
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BU of 6dja by Molmil
ZN-DEPENDENT 5/B/6 METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
Descriptor: Metallo-beta-lactamase type 2, ZINC ION
Authors:Bui, A.A, Khan, N.H, Shaw, R.W, Sutton, R.B.
Deposit date:2018-05-24
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases.
Plos One, 14, 2019
6CGZ
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BU of 6cgz by Molmil
Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to C6-AHL
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ...
Authors:Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M.
Deposit date:2018-02-21
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
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
7DUY
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BU of 7duy by Molmil
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
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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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
7DU1
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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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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

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數據於2024-06-26公開中

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