4F6Z
| Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site | Descriptor: | Beta-lactamase, CITRATE ANION, ZINC ION | Authors: | Horton, L.B, Shanker, S, Sankaran, B, Mikulski, R, Brown, N.G, Phillips, K, Lykissa, E, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2012-05-15 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-beta-lactamase active site Antimicrob.Agents Chemother., 56, 2012
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4FSB
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6JKA
| Crystal structure of metallo-beta-lactamse, IMP-1, in complex with a thiazole-bearing inhibitor | Descriptor: | 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid, 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one, Metallo-beta-lactamase type 2, ... | Authors: | Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T. | Deposit date: | 2019-02-28 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes. Chem Pharm Bull (Tokyo), 69, 2021
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6JED
| Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFANYLACETIC ACID, ... | Authors: | Wachino, J. | Deposit date: | 2019-02-05 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses. Antimicrob.Agents Chemother., 63, 2019
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6JKB
| Crystal structure of metallo-beta-lactamse, NDM-1, in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T. | Deposit date: | 2019-02-28 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes. Chem Pharm Bull (Tokyo), 69, 2021
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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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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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6JN6
| Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19 | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.602 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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6JV4
| Crystal structure of metallo-beta-lactamase VMB-1 | Descriptor: | CITRIC ACID, VMB-1, ZINC ION | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2019-04-15 | Release date: | 2019-11-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp. Adv Biosyst, 4, 2020
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4EYL
| Crystal structure of NDM-1 bound to hydrolyzed meropenem | Descriptor: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro le-5-carboxylic acid, Beta-lactamase NDM-1, ZINC ION | Authors: | Strynadka, N.C.J, King, D.T. | Deposit date: | 2012-05-01 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition J.Am.Chem.Soc., 134, 2012
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6K4T
| Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-sulfanylbenzoic acid, Metallo-beta-lactamase, ... | Authors: | Wachino, J. | Deposit date: | 2019-05-27 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses. Antimicrob.Agents Chemother., 63, 2019
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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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6KNT
| Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group P4332) | Descriptor: | Putative metal-dependent hydrolase, ZINC ION | Authors: | Na, H.W, Namgung, B, Song, W.S, Yoon, S.I. | Deposit date: | 2019-08-07 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and biochemical analyses of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis. Biochem.Biophys.Res.Commun., 519, 2019
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4GYQ
| Crystal Structure of New Delhi Metallo-beta-Lactamase-1 D223A mutant from Klebsiella pneumoniae | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase NDM-1, MAGNESIUM ION | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2012-09-05 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 D223A mutant from Klebsiella pneumoniae To be Published, 2012
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4GYU
| Crystal Structure of New Delhi Metallo-beta-Lactamase-1 A121F mutant from Klebsiella pneumoniae | Descriptor: | Beta-lactamase NDM-1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2012-09-05 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 A121F mutant from Klebsiella pneumoniae To be Published, 2012
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4H0D
| New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase NDM-1, ... | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2012-09-07 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae To be Published
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4FR7
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6K4X
| Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-azanyl-2-sulfanyl-benzoic acid, Metallo-beta-lactamase, ... | Authors: | Wachino, J. | Deposit date: | 2019-05-27 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses. Antimicrob.Agents Chemother., 63, 2019
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4HL2
| New Delhi Metallo-beta-Lactamase-1 1.05 A structure Complexed with Hydrolyzed Ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase NDM-1, ... | Authors: | 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) | Deposit date: | 2012-10-15 | Release date: | 2012-12-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | New Delhi Metallo-beta-Lactamase-1 1.05 A structure Complexed with Hydrolyzed Ampicillin To be Published
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4HL1
| Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin | Descriptor: | (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, ... | Authors: | 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) | Deposit date: | 2012-10-15 | Release date: | 2012-12-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin To be Published
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6KNS
| Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group I4122) | Descriptor: | CALCIUM ION, Putative metal-dependent hydrolase, ZINC ION | Authors: | Na, H.W, Namgung, B, Song, W.S, Yoon, S.I. | Deposit date: | 2019-08-07 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and biochemical analyses of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis. Biochem.Biophys.Res.Commun., 519, 2019
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5EWA
| Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 | Descriptor: | (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | Authors: | Kosmopoulou, M, Hinchliffe, P, Spencer, J. | Deposit date: | 2015-11-20 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EW0
| Crystal structure of the metallo-beta-lactamase Sfh-I in complex with the bisthiazolidine inhibitor L-CS319 | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase, ZINC ION | Authors: | Hinchliffe, P, Tooke, C.L, Spencer, J. | Deposit date: | 2015-11-20 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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2YNU
| Apo GIM-1 with 2Mol. Crystal structures of Pseudomonas aeruginosa GIM-1: active site plasticity in metallo-beta-lactamases | Descriptor: | GIM-1 PROTEIN | Authors: | Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S. | Deposit date: | 2012-10-18 | Release date: | 2013-07-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases. Antimicrob.Agents Chemother., 57, 2013
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5EVB
| Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-CS319 | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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