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1DXK
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Metallo-beta-lactamase from Bacillus cereus 569/H/9 C168S mutant
分子名称: BICARBONATE ION, CLASS B BETA-LACTAMASE, ZINC ION
著者Chantalat, L, Duee, E, Dideberg, O.
登録日2000-01-10
公開日2000-08-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural effects of the active site mutation cysteine to serine in Bacillus cereus zinc-beta-lactamase.
Protein Sci., 9, 2000
1DDK
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CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA
分子名称: ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, ZINC ION
著者Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S.
登録日1999-11-10
公開日2000-11-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
1DD6
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IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR
分子名称: (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ...
著者Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S.
登録日1999-11-08
公開日2000-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
7PP0
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038)
分子名称: 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-09-10
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors.
Chemmedchem, 17, 2022
8I52
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Crystal structure of VIM-2 metallo-beta-lactamase in complex with 10-HHIA
分子名称: (2~{S})-2-butyl-3-methylidene-butanedioic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Wachino, J.
登録日2023-01-23
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of VIM-2 Metallo-beta-lactamase in complex with 10-HHIA
To Be Published
8I8F
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Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION
著者Shi, X, Liu, W.
登録日2023-02-04
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
1P9E
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Crystal Structure Analysis of Methyl Parathion Hydrolase from Pseudomonas sp WBC-3
分子名称: CADMIUM ION, Methyl Parathion Hydrolase, POTASSIUM ION, ...
著者Dong, Y, Sun, L, Bartlam, M, Rao, Z, Zhang, X.
登録日2003-05-11
公開日2004-05-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure Analysis of Methyl Parathion Hydrolase from Pseudomonas sp WBC-3
To be Published
8JAO
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Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
分子名称: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2023-05-06
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
7R3F
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Monomeric PqsE mutant E187R
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ...
著者Borgert, S.R, Schmelz, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
8PJM
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Metallo beta-lactamase VIM2 with compound AK110
分子名称: Beta-lactamase VIM-2, CHLORIDE ION, SODIUM ION, ...
著者Lucic, A, Hinchliffe, P, Schofield, C.
登録日2023-06-23
公開日2023-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Metallo beta-lactamase VIM2 with compound AK110
To Be Published
1SML
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METALLO BETA LACTAMASE L1 FROM STENOTROPHOMONAS MALTOPHILIA
分子名称: PROTEIN (PENICILLINASE), ZINC ION
著者Ullah, J.H, Walsh, T.R, Taylor, I.A, Emery, D.C, Verma, C.S, Gamblin, S.J, Spencer, J.
登録日1998-09-22
公開日1999-09-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia at 1.7 A resolution.
J.Mol.Biol., 284, 1998
8D2Z
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Crystal Structure of a Metallo-beta-lactamase superfamily protein from Burkholderia cenocepacia
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-05-31
公開日2023-07-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of a Metallo-beta-lactamase superfamily protein from Burkholderia cenocepacia
to be published
7O0O
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Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem
分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-03-26
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-beta-Lactamase in the Imine Form.
J.Chem.Inf.Model., 61, 2021
7OVH
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931)
分子名称: ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-06-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
7OVE
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210)
分子名称: ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Mangani, S, Docquier, J.D, Pozzi, C, Marcoccia, F.
登録日2021-06-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
7OVF
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8 (JMV-7207)
分子名称: 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-06-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
1BC2
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ZN-DEPENDENT METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
分子名称: METALLO-BETA-LACTAMASE II, SULFATE ION, ZINC ION
著者Fabiane, S.M, Sutton, B.J.
登録日1997-04-11
公開日1998-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the zinc-dependent beta-lactamase from Bacillus cereus at 1.9 A resolution: binuclear active site with features of a mononuclear enzyme.
Biochemistry, 37, 1998
1BMC
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STRUCTURE OF A ZINC METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
分子名称: METALLO-BETA-LACTAMASE, ZINC ION
著者Carfi, A, Pares, S, Duee, E, Dideberg, O.
登録日1995-06-16
公開日1996-08-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The 3-D structure of a zinc metallo-beta-lactamase from Bacillus cereus reveals a new type of protein fold.
EMBO J., 14, 1995
1BVT
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METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 569/H/9
分子名称: BICARBONATE ION, PROTEIN (BETA-LACTAMASE), ZINC ION
著者Carfi, A, Duee, E, Dideberg, O.
登録日1998-09-18
公開日1998-09-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 A resolution structure of the zinc (II) beta-lactamase from Bacillus cereus.
Acta Crystallogr.,Sect.D, 54, 1998
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
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
7L5F
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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
7LUU
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Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active Site Glutamic Acid
分子名称: GLYCEROL, SULFATE ION, Subclass B3 metallo-beta-lactamase, ...
著者Wilson, L, Knaven, E, Morris, M.T, Schenk, G.
登録日2021-02-23
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active-Site Glutamic Acid.
Antimicrob.Agents Chemother., 65, 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

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