8B20
 
 | | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57 | | Descriptor: | 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, ... | | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | | Deposit date: | 2022-09-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | 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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8B1W
 | | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP35 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, ... | | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | | Deposit date: | 2022-09-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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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3ESH
 | | Crystal structure of a probable metal-dependent hydrolase from Staphylococcus aureus. Northeast Structural Genomics target ZR314 | | Descriptor: | Protein similar to metal-dependent hydrolase | | Authors: | Seetharaman, J, Chen, Y, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-10-06 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a probable metal-dependent hydrolase from
Staphylococcus aureus. Northeast Structural Genomics target ZR314
To be Published
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3F9O
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3FAI
 | | The Di Zinc Carbapenemase CphA N220G mutant | | Descriptor: | Beta-lactamase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Delbruck, H, Hoffmann, K.M.V. | | Deposit date: | 2008-11-17 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of the dizinc subclass B2 metallo-beta-lactamase CphA reveals that the second inhibitory zinc ion binds in the histidine site
Antimicrob.Agents Chemother., 53, 2009
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3FCZ
 | | Adaptive protein evolution grants organismal fitness by improving catalysis and flexibility | | Descriptor: | Beta-lactamase 2, ZINC ION | | Authors: | Tomatis, P, Fabiane, S, Simona, F, Carloni, P, Sutton, B, Vila, A. | | Deposit date: | 2008-11-24 | | Release date: | 2008-12-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Adaptive protein evolution grants organismal fitness by improving catalysis and flexibility.
Proc.Natl.Acad.Sci.USA, 105, 2008
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3H3E
 | | Crystal structure of Tm1679, A METAL-DEPENDENT HYDROLASE OF THE BETA-LACTAMASE SUPERFAMILY | | Descriptor: | ZINC ION, uncharacterized protein Tm1679 | | Authors: | Cooper, D.R, Olekhnovitch, N, Derewenda, U, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2009-04-16 | | Release date: | 2009-07-14 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.749 Å) | | Cite: | Crystal structure of Tm1679, A METAL-DEPENDENT HYDROLASE OF THE BETA-LACTAMASE SUPERFAMILY
To be Published
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3I11
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3I0V
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3I14
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3I15
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3I13
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3IOG
 | | Crystal structure of CphA N220G mutant with inhibitor 18 | | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION, ... | | Authors: | Delbruck, H, Bebrone, C, Hoffmann, K.M.V. | | Deposit date: | 2009-08-14 | | Release date: | 2010-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-beta-lactamases
J.Med.Chem., 53, 2010
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3IOF
 | | Crystal structure of CphA N220G mutant with inhibitor 10a | | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION, ... | | Authors: | Delbruck, H, Bebrone, C, Hoffmann, K.M.V. | | Deposit date: | 2009-08-14 | | Release date: | 2010-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-beta-lactamases
J.Med.Chem., 53, 2010
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3PG4
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6HF5
 | | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor | | Descriptor: | 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
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6IBS
 | | Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6 | | Descriptor: | CALCIUM ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2018-11-30 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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3Q6V
 | | Crystal Structure of Serratia fonticola Sfh-I: glycerol complex | | Descriptor: | Beta-lactamase, GLYCEROL, ZINC ION | | Authors: | Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J. | | Deposit date: | 2011-01-03 | | Release date: | 2011-07-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal structure of Serratia fonticola Sfh-I: activation of the nucleophile in mono-zinc metallo-beta-lactamases.
J.Mol.Biol., 411, 2011
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6IBV
 | | Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1 | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2018-11-30 | | Release date: | 2019-05-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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3KNS
 | | Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II) | | Descriptor: | ACETIC ACID, Beta-lactamase 2, GLYCEROL, ... | | Authors: | Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J. | | Deposit date: | 2009-11-12 | | Release date: | 2010-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions.
Nat.Chem.Biol., 8, 2012
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3KNR
 | | Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II) | | Descriptor: | ACETIC ACID, Beta-lactamase 2, GLYCEROL, ... | | Authors: | Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J. | | Deposit date: | 2009-11-12 | | Release date: | 2010-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions.
Nat.Chem.Biol., 8, 2012
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3LVZ
 | | New refinement of the crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum | | Descriptor: | Blr6230 protein, ZINC ION | | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Stoczko, M, Rossolini, G.M, Mangani, S. | | Deposit date: | 2010-02-23 | | Release date: | 2011-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob.Agents Chemother., 54, 2010
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3L6N
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6J8R
 | | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 | | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-01-21 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.575 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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3RKJ
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pnueumoniae | | Descriptor: | Beta-lactamase NDM-1, GLYCEROL, SULFATE ION | | Authors: | 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) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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