4U3T
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5VFD
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![BU of 5vfd by Molmil](/molmil-images/mine/5vfd) | Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii | Descriptor: | (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ... | Authors: | Olivier, N.B, Lahiri, S. | Deposit date: | 2017-04-07 | Release date: | 2017-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii. Nat Microbiol, 2, 2017
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4F94
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![BU of 4f94 by Molmil](/molmil-images/mine/4f94) | Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Beta-lactamase, SULFATE ION | Authors: | June, C.M, Vallier, B.C, Bonomo, R.A, Leonard, D.A, Powers, R.A. | Deposit date: | 2012-05-18 | Release date: | 2013-08-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin To be Published
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8EP6
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![BU of 8ep6 by Molmil](/molmil-images/mine/8ep6) | Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in complex with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, ACETIC ACID, Beta-lactamase Class D Cpin_0907 | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-05 | Release date: | 2022-10-19 | Last modified: | 2023-02-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in the complex with Avibactam. To Be Published
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7LXG
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3IF6
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![BU of 3if6 by Molmil](/molmil-images/mine/3if6) | Crystal structure of OXA-46 beta-lactamase from P. aeruginosa | Descriptor: | 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ... | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S. | Deposit date: | 2009-07-24 | Release date: | 2010-03-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates Antimicrob.Agents Chemother., 54, 2010
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3ISG
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![BU of 3isg by Molmil](/molmil-images/mine/3isg) | Structure of the class D beta-lactamase OXA-1 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, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1 | Authors: | Powers, R.A. | Deposit date: | 2009-08-25 | Release date: | 2009-12-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The 1.4 A crystal structure of the class D beta-lactamase OXA-1 complexed with doripenem. Biochemistry, 48, 2009
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7DML
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5CXW
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![BU of 5cxw by Molmil](/molmil-images/mine/5cxw) | Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V | Descriptor: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2015-07-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance. Febs J., 283, 2016
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8RTZ
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![BU of 8rtz by Molmil](/molmil-images/mine/8rtz) | The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Bicyclic peptide inhibitor, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Rowland, C.E, Dods, R, Lewis, N, Stanway, S.J, Bellini, D, Beswick, P. | Deposit date: | 2024-01-29 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery and chemical optimisation of a Potent, Bi-cyclic (Bicycle) Antimicrobial Inhibitor of Escherichia coli PBP3 To Be Published
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7RLR
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![BU of 7rlr by Molmil](/molmil-images/mine/7rlr) | Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-07-26 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630 To Be Published
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7RL8
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![BU of 7rl8 by Molmil](/molmil-images/mine/7rl8) | Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630 | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-07-23 | Release date: | 2021-08-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630 To Be Published
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8SQ8
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![BU of 8sq8 by Molmil](/molmil-images/mine/8sq8) | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-109 in complex with doripenem | Descriptor: | (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, Beta-lactamase OXA-109 | Authors: | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | Deposit date: | 2023-05-04 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants. J.Mol.Biol., 436, 2024
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8SQ7
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![BU of 8sq7 by Molmil](/molmil-images/mine/8sq7) | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem | Descriptor: | (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, Beta-lactamase OXA-82, CITRATE ANION, ... | Authors: | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | Deposit date: | 2023-05-04 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants. J.Mol.Biol., 436, 2024
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7R6Z
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![BU of 7r6z by Molmil](/molmil-images/mine/7r6z) | OXA-48 bound by Compound 3.3 | Descriptor: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | Deposit date: | 2021-06-24 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 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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5DVA
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![BU of 5dva by Molmil](/molmil-images/mine/5dva) | |
5WI7
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![BU of 5wi7 by Molmil](/molmil-images/mine/5wi7) | Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to doripenem | Descriptor: | (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, OXA-239 | Authors: | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2017-07-18 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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5WIB
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![BU of 5wib by Molmil](/molmil-images/mine/5wib) | Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to imipenem | Descriptor: | Imipenem, OXA-239 | Authors: | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2017-07-19 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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7VVI
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![BU of 7vvi by Molmil](/molmil-images/mine/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
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![BU of 7vx3 by Molmil](/molmil-images/mine/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
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![BU of 7vx6 by Molmil](/molmil-images/mine/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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5WI3
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![BU of 5wi3 by Molmil](/molmil-images/mine/5wi3) | Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to cefotaxime | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2017-07-18 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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2BG1
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![BU of 2bg1 by Molmil](/molmil-images/mine/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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1XA1
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![BU of 1xa1 by Molmil](/molmil-images/mine/1xa1) | Crystal structure of the sensor domain of BlaR1 from Staphylococcus aureus in its apo form | Descriptor: | PHOSPHATE ION, PYROPHOSPHATE 2-, Regulatory protein blaR1 | Authors: | Wilke, M.S, Hills, T.L, Zhang, H.Z, Chambers, H.F, Strynadka, N.C. | Deposit date: | 2004-08-24 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the Apo and penicillin-acylated forms of the BlaR1 beta-lactam sensor of Staphylococcus aureus. J.Biol.Chem., 279, 2004
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2C6W
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![BU of 2c6w by Molmil](/molmil-images/mine/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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