5HAQ
| OXa-48 beta-lactamase mutant - S70G | Descriptor: | Beta-lactamase, CADMIUM ION, FORMIC ACID | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2015-12-30 | Release date: | 2016-09-07 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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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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5TG5
| OXA-24/40 in Complex with Boronic Acid BA8 | Descriptor: | BICARBONATE ION, Beta-lactamase, METHANETHIOL, ... | 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 (1.75 Å) | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase. Protein Sci., 26, 2017
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5HAP
| OXA-48 beta-lactamase - S70A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2015-12-30 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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5TG7
| OXA-24/40 in Complex with Boronic Acid BA3 | Descriptor: | (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid, BICARBONATE ION, Beta-lactamase, ... | 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 (2.28 Å) | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase. Protein Sci., 26, 2017
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4GN2
| Crystal Structure of OXA-45, a Class D beta-lactamase with extended spectrum activity | Descriptor: | Oxacillinase | Authors: | Martin, J.D, Xiong, X.L, Catto, L.E, Toleman, M.A, Walsh, T.R, Clarke, A.R, Spencer, J. | Deposit date: | 2012-08-16 | Release date: | 2013-08-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural and Kinetic Characterization of OXA-45, a Class D beta-Lactamase with Extended Spectrum activity To be Published
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5IY2
| Structure of apo OXA-143 carbapenemase | Descriptor: | Beta-lactamase OXA-143, GLYCEROL | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2016-03-23 | Release date: | 2017-08-09 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D beta-lactamases. Acta Crystallogr D Struct Biol, 73, 2017
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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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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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4IED
| Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Class D beta-lactamase, ... | Authors: | Mangani, S, Benvenuti, M, Docquier, J.D. | Deposit date: | 2012-12-13 | Release date: | 2014-01-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum To be Published
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7KHY
| Crystal structure of OXA-163 K73A 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, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-22 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KH9
| Crystal structure of OXA-48 K73A in complex with imipenem | 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, CHLORIDE ION | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-20 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KHZ
| Crystal structure of OXA-163 K73A in complex with imipenem | 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, CHLORIDE ION, ... | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-22 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KHQ
| Crystal structure of OXA-48 K73A 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, CHLORIDE ION, ... | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-21 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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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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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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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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4JF5
| Structure of OXA-23 at pH 4.1 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2013-02-27 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii. Chem.Biol., 20, 2013
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5KZH
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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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4JBF
| Crystal structure of peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469. | Descriptor: | Peptidoglycan glycosyltransferase, TETRAETHYLENE GLYCOL | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Shuvalova, L, Kiryukhina, O, Babnigg, G, 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: | 2013-02-19 | Release date: | 2013-03-20 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469. To be Published
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4JF4
| OXA-23 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-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Smith, C.A, Vakulenko, S.B, Toth, M. | Deposit date: | 2013-02-27 | Release date: | 2013-09-25 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii. Chem.Biol., 20, 2013
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4JF6
| Structure of OXA-23 at pH 7.0 | Descriptor: | Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2013-02-27 | Release date: | 2013-09-25 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii. Chem.Biol., 20, 2013
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4K0X
| X-ray Crystal Structure of OXA-23 from Acinetobacter baumannii | Descriptor: | BICARBONATE ION, Beta-lactamase | Authors: | Klinger, N.V, Ramey, M.E, Leonard, D.A, Powers, R.A. | Deposit date: | 2013-04-04 | Release date: | 2013-08-07 | Last modified: | 2013-10-23 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam. Antimicrob.Agents Chemother., 57, 2013
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4K0W
| X-ray crystal structure of OXA-23 A220 duplication clinical variant | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, Beta-lactamase, ... | Authors: | Kaitany, K.J, Klinger, N.V, Leonard, D.A, Powers, R.A. | Deposit date: | 2013-04-04 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam. Antimicrob.Agents Chemother., 57, 2013
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