7ASS
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6B22
| Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION | Authors: | van den Akker, F, Nguyen, N.Q. | Deposit date: | 2017-09-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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4Y0U
| Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii. | Descriptor: | 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | Deposit date: | 2015-02-06 | Release date: | 2016-01-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii. Antimicrob.Agents Chemother., 60, 2015
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4Y0O
| Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii. | Descriptor: | Beta-lactamase | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | Deposit date: | 2015-02-06 | Release date: | 2016-01-13 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii. Antimicrob.Agents Chemother., 60, 2015
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6I1I
| Crystal structure of TP domain from Escherichia coli penicillin-binding protein 3 in complex with penicillin | Descriptor: | Peptidoglycan D,D-transpeptidase FtsI,Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form) | Authors: | Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G. | Deposit date: | 2018-10-28 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance. J.Mol.Biol., 431, 2019
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1H5X
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6W5E
| Class D beta-lactamase BSU-2 | Descriptor: | 1,2-ETHANEDIOL, BSU-2 beta-lactamase, MALONATE ION | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-03-13 | Release date: | 2020-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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6I5D
| Crystal structure of an OXA-48 beta-lactamase synthetic mutant | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B. | Deposit date: | 2018-11-13 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Substrate specificity of an OXA-48 beta-lactamase synthetic mutant To be published
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1H8Z
| Crystal structure of the class D beta-lactamase OXA-13 | Descriptor: | BETA-LACTAMASE, SULFATE ION | Authors: | Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W. | Deposit date: | 2001-02-17 | Release date: | 2001-07-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem J.Mol.Biol., 310, 2001
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1H8Y
| Crystal structure of the class D beta-lactamase OXA-13 in complex with meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, BETA-LACTAMASE, SULFATE ION | Authors: | Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W. | Deposit date: | 2001-02-17 | Release date: | 2001-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem J.Mol.Biol., 310, 2001
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3LCE
| Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic | Descriptor: | (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid, Beta-lactamase OXA-10, GLYCEROL, ... | Authors: | Gretes, M, Strynadka, N.C.J. | Deposit date: | 2010-01-10 | Release date: | 2010-03-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cyclobutanone Analogues of beta-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-beta-Lactamases. J.Am.Chem.Soc., 132, 2010
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2BG1
| Active site restructuring regulates ligand recognition in classA Penicillin-binding proteins (PBPs) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SULFATE ION | Authors: | Macheboeuf, P, Di Guilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A. | Deposit date: | 2004-12-16 | Release date: | 2005-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins Proc.Natl.Acad.Sci.USA, 102, 2005
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2C5W
| PENICILLIN-BINDING PROTEIN 1A (PBP-1A) ACYL-ENZYME COMPLEX (CEFOTAXIME) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | 1,2-ETHANEDIOL, CEFOTAXIME, C3' cleaved, ... | Authors: | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | Deposit date: | 2005-11-02 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae. J.Mol.Biol., 355, 2006
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2C6W
| PENICILLIN-BINDING PROTEIN 1A (PBP-1A) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1A, ZINC ION | Authors: | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | Deposit date: | 2005-11-14 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae. J.Mol.Biol., 355, 2006
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3MBZ
| OXA-24 beta-lactamase complex soaked with 10mM SA4-17 inhibitor for 15min | Descriptor: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Betalactamase OXA24, SULFATE ION | Authors: | Sampson, J, van den Akker, F. | Deposit date: | 2010-03-26 | Release date: | 2011-03-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 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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7JHQ
| OXA-48 bound by Compound 2.3 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase OXA-48, CHLORIDE ION, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-07-21 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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7VVI
| OXA-58 crystal structure of acylated meropenem complex | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION | Authors: | Saino, H, Sugiyabu, T, Miyano, M. | Deposit date: | 2021-11-06 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | OXA-58 crystal structure of acylated meropenem complex to be published
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7VX3
| OXA-58 crystal structure of acylated meropenem complex 2 | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, ... | Authors: | Saino, H, Sugiyabu, T, Miyano, M. | Deposit date: | 2021-11-12 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | OXA-58 crystal structure of acylated meropenem complex 2 To be published
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7VX6
| OXA-58 crystal structure of acylated meropenem complex 2 | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, ... | Authors: | Saino, H, Sugiyabu, T, Miyano, M. | Deposit date: | 2021-11-12 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | OXA-58 crystal structure of acylated meropenem complex 2 To be published
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7K5V
| OXA-48 bound by Compound 3.1 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-09-17 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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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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7T7G
| Imipenem-OXA-23 2 minute complex | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase OXA-23 | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2021-12-15 | Release date: | 2022-05-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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7T7F
| MA-1-206-OXA-23 25 minute complex | Descriptor: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2021-12-15 | Release date: | 2022-05-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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7T7D
| MA-1-206-OXA-23 30s complex | Descriptor: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2021-12-15 | Release date: | 2022-05-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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7T7E
| MA-1-206-OXA-23 3 minute complex | Descriptor: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2021-12-15 | Release date: | 2022-05-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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