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4HL1
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Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase NDM-1, CADMIUM ION, ...
著者Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2012-10-15
公開日2012-12-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin
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
6HF5
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Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor
分子名称: 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2018-08-21
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
3PG4
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The crystal structure of New Delhi Metallo-beta lactamase (NDM-1)
分子名称: Metallo-beta-lactamase
著者Kim, H.T, Cho, Y.S, Chang, H.J.
登録日2010-10-29
公開日2011-11-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of New Delhi Metallo-beta lactamase (NDM-1)
To be Published
3Q6V
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Crystal Structure of Serratia fonticola Sfh-I: glycerol complex
分子名称: Beta-lactamase, GLYCEROL, ZINC ION
著者Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
登録日2011-01-03
公開日2011-07-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of Serratia fonticola Sfh-I: activation of the nucleophile in mono-zinc metallo-beta-lactamases.
J.Mol.Biol., 411, 2011
6IBS
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Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6
分子名称: CALCIUM ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-11-30
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
8HYB
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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, ACETATE ION, Beta-lactamase, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-06
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.193 Å)
主引用文献2-Aminothiazole-4-carboxylic acids as cross-class metallo-beta-lactamase inhibitors by mimicking beta-lactam hydrolysate binding
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
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
6IBV
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Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-11-30
公開日2019-05-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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
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
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
3RKJ
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BU of 3rkj by Molmil
Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pnueumoniae
分子名称: Beta-lactamase NDM-1, GLYCEROL, SULFATE ION
著者Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2011-04-18
公開日2011-05-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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
3RKK
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Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pneumoniae
分子名称: ACETIC ACID, Beta-lactamase NDM-1, GLYCEROL, ...
著者Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2011-04-18
公開日2011-05-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
8A4M
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061)
分子名称: (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2022-06-13
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
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
8B20
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NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57
分子名称: 1,2-ETHANEDIOL, 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L.
登録日2022-09-12
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria.
Pharmaceuticals, 16, 2023
8B1Z
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NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP56
分子名称: 1,2-ETHANEDIOL, 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L.
登録日2022-09-12
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria.
Pharmaceuticals, 16, 2023

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