7RP8
 
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7RPF
 | | X-ray crystal structure of OXA-24/40 in complex with doripenem | | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, ... | | Authors: | Powers, R.A, Mitchell, J.M, June, C.M. | | Deposit date: | 2021-08-03 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
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6C6I
 | | Crystal structure of a chimeric NDM-1 metallo-beta-lactamase harboring the IMP-1 L3 loop | | Descriptor: | Metallo-beta-lactamase type 2 chimera, ZINC ION | | Authors: | Otero, L, Giannini, E, Klinke, S, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | | Deposit date: | 2018-01-18 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop.
Antimicrob. Agents Chemother., 63, 2019
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6CAC
 | | Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop | | Descriptor: | CADMIUM ION, CALCIUM ION, COBALT (II) ION, ... | | Authors: | Alzari, P.M, Giannini, E, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | | Deposit date: | 2018-01-30 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop.
Antimicrob. Agents Chemother., 63, 2019
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3FYZ
 | | OXA-24 beta-lactamase complex with SA4-17 inhibitor | | Descriptor: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | | Authors: | Romero, A, Santillana, E. | | Deposit date: | 2009-01-23 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
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3FZC
 | | OXA-24 beta-lactamase complex with SA3-53 inhibitor | | Descriptor: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | | Authors: | Romero, A, Santillana, E. | | Deposit date: | 2009-01-24 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
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3G4P
 | | OXA-24 beta-lactamase at pH 7.5 | | Descriptor: | Beta-lactamase OXA-24 | | Authors: | Santillana, E, Romero, A. | | Deposit date: | 2009-02-04 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase
J.Am.Chem.Soc., 132, 2010
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6OP6
 | | Structure of VIM-20 in the reduced state | | Descriptor: | Metallo-beta-lactamase VIM-20, SODIUM ION, ZINC ION | | Authors: | Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C. | | Deposit date: | 2019-04-24 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
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6OP7
 | | Structure of oxidized VIM-20 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase VIM-20, ZINC ION | | Authors: | Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C. | | Deposit date: | 2019-04-24 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
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6OWS
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4X6T
 | | M.tuberculosis betalactamase complexed with inhibitor EC19 | | Descriptor: | 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Hazra, S. | | Deposit date: | 2014-12-09 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs).
ACS Infect Dis, 1, 2015
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4ZAM
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4ZBE
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4MBH
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4MBF
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4MBK
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4NQ2
 | | Structure of Zn(II)-bound metallo-beta-lactamse VIM-2 from Pseudomonas aeruginosa | | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION | | Authors: | Aitha, M, Nix, J.C, Crowder, M.W, Page, R.C. | | Deposit date: | 2013-11-23 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Biochemical, Mechanistic, and Spectroscopic Characterization of Metallo-beta-lactamase VIM-2.
Biochemistry, 53, 2014
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4NQ6
 | | Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319 | | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ... | | Authors: | Gonzalez, J.M, Gonzalez, M.M, Vila, A.J. | | Deposit date: | 2013-11-23 | | Release date: | 2014-11-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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3RXW
 | | KPC-2 carbapenemase in complex with PSR3-226 | | Descriptor: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid, CITRIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | | Authors: | Ke, W, van den Akker, F. | | Deposit date: | 2011-05-10 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226.
Antimicrob.Agents Chemother., 56, 2012
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3RXX
 | | KPC-2 carbapenemase in complex with 3-NPBA | | Descriptor: | 3-NITROPHENYLBORONIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | | Authors: | Ke, W, van den Akker, F. | | Deposit date: | 2011-05-10 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226.
Antimicrob.Agents Chemother., 56, 2012
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3V50
 | | Complex of SHV S130G mutant beta-lactamase complexed to SA2-13 | | Descriptor: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Wei, K, van den Akker, F. | | Deposit date: | 2011-12-15 | | Release date: | 2012-08-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants.
Chemmedchem, 7, 2012
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3V5M
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3W8K
 | | Crystal structure of class C beta-lactamase Mox-1 | | Descriptor: | ACETATE ION, Beta-lactamase, ZINC ION | | Authors: | Shimizu-ibuka, A, Oguri, T, Furuyama, T, Ishii, Y. | | Deposit date: | 2013-03-15 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of Mox-1, a unique plasmid-mediated class C beta-lactamase with hydrolytic activity towards moxalactam
Antimicrob.Agents Chemother., 58, 2014
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5TG4
 | | OXA-24/40 in Complex with Boronic Acid BA16 | | Descriptor: | BICARBONATE ION, Beta-lactamase, D-Glyceraldehyde, ... | | Authors: | Powers, R.A, Werner, J.P, Mitchell, J.M. | | Deposit date: | 2016-09-27 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
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5TG6
 | | OXA-24/40 in Complex with Boronic Acid BA4 | | Descriptor: | BICARBONATE ION, Beta-lactamase, SULFATE ION, ... | | Authors: | Powers, R.A, Werner, J.P, Mitchell, J.M. | | Deposit date: | 2016-09-27 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
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