8CUM
| X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d | Descriptor: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii Antibiotics, 12, 2023
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8CUL
| Xray ray crystal structure of OXA-24/40 in complex with CR167 | Descriptor: | 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii Antibiotics, 12, 2023
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8CUO
| X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e | Descriptor: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii Antibiotics, 12, 2023
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3FYZ
| OXA-24 beta-lactamase complex with SA4-17 inhibitor | Descriptor: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | Authors: | Romero, A, Santillana, E. | Deposit date: | 2009-01-23 | Release date: | 2010-02-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 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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3FZC
| OXA-24 beta-lactamase complex with SA3-53 inhibitor | Descriptor: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | Authors: | Romero, A, Santillana, E. | Deposit date: | 2009-01-24 | Release date: | 2010-02-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 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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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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3HBR
| Crystal structure of OXA-48 beta-lactamase | Descriptor: | 1,2-ETHANEDIOL, OXA-48 | Authors: | Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D. | Deposit date: | 2009-05-05 | Release date: | 2009-06-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases. Chem.Biol., 16, 2009
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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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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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5HAR
| OXA-163 beta-lactamase - S70G mutant | Descriptor: | ACETATE ION, Beta-lactamase, CHLORIDE ION | 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 (1.74 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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5TG4
| OXA-24/40 in Complex with Boronic Acid BA16 | Descriptor: | BICARBONATE ION, Beta-lactamase, D-Glyceraldehyde, ... | 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 (1.44 Å) | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase. Protein Sci., 26, 2017
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5HFO
| CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE | Descriptor: | Beta-lactamase, CHLORIDE ION, GLYCEROL, ... | Authors: | Retailleau, P, Oueslati, S, Cisse, C, Nordmann, P, Naas, T, Iorga, B. | Deposit date: | 2016-01-07 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Role of Arginine 214 in the Substrate Specificity of OXA-48. Antimicrob.Agents Chemother., 64, 2020
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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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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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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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7DML
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4MLL
| The 1.4 A structure of the class D beta-lactamase OXA-1 K70D complexed 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, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1, ... | Authors: | June, C.M, Vallier, B.C, Bonomo, R.A, Leonard, D.A, Powers, R.A. | Deposit date: | 2013-09-06 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural Origins of Oxacillinase Specificity in Class D beta-Lactamases. Antimicrob.Agents Chemother., 58, 2014
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4MNR
| Crystal Structure of D,D-Transpeptidase Domain of Peptidoglycan Glycosyltransferase from Eggerthella lenta | Descriptor: | ACETIC ACID, MAGNESIUM ION, Peptidoglycan glycosyltransferase | Authors: | Kim, Y, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-09-11 | Release date: | 2013-09-25 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Crystal Structure of D,D-Transpeptidase Domain of Peptidoglycan Glycosyltransferase from Eggerthella lenta To be Published
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4N1X
| Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G | Descriptor: | OPEN FORM - PENICILLIN G, Peptidoglycan glycosyltransferase | Authors: | Filippova, E.V, 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: | 2013-10-04 | Release date: | 2013-10-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G 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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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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4OH0
| Crystal structure of OXA-58 carbapenemase | Descriptor: | Beta-lactamase OXA-58, CHLORIDE ION | Authors: | Smith, C.A, Antunes, N.T, Toth, M, Vakulenko, S.B. | Deposit date: | 2014-01-16 | Release date: | 2014-02-26 | Last modified: | 2014-04-02 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structure of Carbapenemase OXA-58 from Acinetobacter baumannii. Antimicrob.Agents Chemother., 58, 2014
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