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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7DML
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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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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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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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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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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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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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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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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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2FFF
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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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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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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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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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3LO7
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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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1NRF
 | | C-terminal domain of the Bacillus licheniformis BlaR penicillin-receptor | | Descriptor: | REGULATORY PROTEIN BLAR1 | | Authors: | Kerff, F, Charlier, P, Columbo, M.L, Sauvage, E, Brans, A, Frere, J.M, Joris, B, Fonze, E. | | Deposit date: | 2003-01-24 | | Release date: | 2004-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the sensor domain of the BlaR penicillin receptor from Bacillus licheniformis.
Biochemistry, 42, 2003
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8QNZ
 | | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ... | | Authors: | Zhou, Q, He, Y, Jin, Y. | | Deposit date: | 2023-09-27 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Acs Cent.Sci., 9, 2023
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8PEB
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