6XJ3
 
 | | Crystal structure of Class D beta-lactamase from Klebsiella quasipneumoniae in complex with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-06-22 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Class D beta-lactamase from Klebsiella quasipneumoniae
To Be Published
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1EWZ
 | | CRYSTAL STRUCTURE OF THE OXA-10 BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA | | Descriptor: | BETA LACTAMASE OXA-10 | | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Tranier, S, Ishiwata, A, Kotra, L.P, Samama, J.P, Mobashery, S. | | Deposit date: | 2000-04-28 | | Release date: | 2000-11-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The First Structural and Mechanistic Insights for Class D beta-Lactamases: Evidence for a Novel Catalytic Process for Turnover of beta-Lactam Antibiotics
J.Am.Chem.Soc., 122, 2000
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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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7DML
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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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8FAJ
 | | OXA-48-NA-1-157 inhibitor complex | | Descriptor: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | | Authors: | Smith, C.A, Stewart, N.K, Toth, M, Vakulenko, S.B. | | Deposit date: | 2022-11-28 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Exhibits Potent Activity against Klebsiella spp. Isolates Producing OXA-48-Type Carbapenemases.
Acs Infect Dis., 9, 2023
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8GPW
 | | Structure of Penicillin-binding protein 3 (PBP3) from Klebsiella pneumoniae with ligand 18G | | Descriptor: | 1-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxycyclopropane-1-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Song, D.Q, Li, Y.H. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure of Penicillin-binding protein 3 (PBP3) from Klebsiella pneumoniae with ligand 18G at 2.06 Angstroms resolution
To Be Published
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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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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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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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1XKZ
 | | Crystal structure of the acylated beta-lactam sensor domain of Blar1 from S. aureus | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACYLATED CEFTAZIDIME, Regulatory protein blaR1, ... | | Authors: | Birck, C, Cha, J.Y, Cross, J, Schulze-Briese, C, Meroueh, S.O, Schlegel, H.B, Mobashery, S, Samama, J.-P. | | Deposit date: | 2004-09-30 | | Release date: | 2004-11-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | X-ray crystal structure of the acylated beta-lactam sensor domain of BlaR1 from Staphylococcus aureus and the mechanism of receptor activation for signal transduction
J.Am.Chem.Soc., 126, 2004
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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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1XA7
 | | Crystal structure of the benzylpenicillin-acylated BlaR1 sensor domain from Staphylococcus aureus | | Descriptor: | OPEN FORM - PENICILLIN G, Regulatory protein BlaR1 | | Authors: | Wilke, M.S, Hills, T.L, Zhang, H.Z, Chambers, H.F, Strynadka, N.C. | | Deposit date: | 2004-08-25 | | Release date: | 2004-09-21 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (2.4 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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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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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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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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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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1E3U
 | | MAD structure of OXA10 class D beta-lactamase | | Descriptor: | 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, GOLD (I) CYANIDE ION, ... | | Authors: | Maveyraud, L, Golemi, D, Kotra, L.P, Tranier, S, Vakulenko, S, Mobashery, S, Samama, J.P. | | Deposit date: | 2000-06-23 | | Release date: | 2001-01-12 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Insights Into Class D Beta-Lactamases are Revealed by the Crystal Structure of the Oxa10 Enzyme from Pseudomonas Aeruginosa
Structure, 8, 2000
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1E4D
 | | Structure of OXA10 beta-lactamase at pH 8.3 | | Descriptor: | 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, SULFATE ION | | Authors: | Maveyraud, L, Golemi, D, Kotra, L.P, Tranier, S, Vakulenko, S, Mobashery, S, Samama, J.P. | | Deposit date: | 2000-07-03 | | Release date: | 2001-01-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights Into Class D Beta-Lactamases are Revealed by the Crystal Structure of the Oxa10 Enzyme from Pseudomonas Aeruginosa
Structure, 8, 2000
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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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