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4EV4	Crystal structure of serratia fonticola carbapenemase SFC-1 E166A mutant with the acylenzyme intermediate of 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, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1 Authors: Fonseca, F, Spencer, J. Deposit date: 2012-04-25 Release date: 2012-05-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations. J.Am.Chem.Soc., 134, 2012
4EUZ	Crystal structure of serratia fonticola carbapenemase SFC-1 S70A-Meropenem complex Descriptor: (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, ... Authors: Fonseca, F, Spencer, J. Deposit date: 2012-04-25 Release date: 2012-05-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.08 Å) Cite: The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations. J.Am.Chem.Soc., 134, 2012
4EQI	Crystal structure of serratia fonticola carbapenemase SFC-1 Descriptor: 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, SODIUM ION Authors: Fonseca, F, Spencer, J. Deposit date: 2012-04-18 Release date: 2012-05-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.38 Å) Cite: The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations. J.Am.Chem.Soc., 134, 2012
4EBP	BlaC E166A Cefotaxime Acyl-Intermediate Complex Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ... Authors: Mire, J.A, TB Structural Genomics Consortium (TBSGC) Deposit date: 2012-03-23 Release date: 2013-04-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo To be Published
4EBN	BlaC Amoxicillin Acyl-Intermediate Complex Descriptor: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION Authors: Mire, J.A, TB Structural Genomics Consortium (TBSGC) Deposit date: 2012-03-23 Release date: 2013-04-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo To be Published
4EBL	BlaC E166A Faropenem Acyl-Intermediate Complex Descriptor: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION Authors: Mire, J.A, TB Structural Genomics Consortium (TBSGC) Deposit date: 2012-03-23 Release date: 2013-04-03 Last modified: 2017-02-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo To be Published
4E6X	ClbP in complex boron-based inhibitor Descriptor: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, ClbP peptidase, PHOSPHATE ION Authors: Cougnoux, A, Delmas, J, Bonnet, R. Deposit date: 2012-03-16 Release date: 2013-03-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.24 Å) Cite: The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria To be Published
4E6W	ClbP in complex with 3-aminophenyl boronic acid Descriptor: ClbP peptidase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION Authors: Cougnoux, A, Delmas, J, Bonnet, R. Deposit date: 2012-03-16 Release date: 2013-03-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.19 Å) Cite: The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria To be Published
4E3O	Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor Descriptor: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, Beta-lactamase, PHOSPHATE ION Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3N	Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor Descriptor: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3M	Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor Descriptor: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3L	Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor Descriptor: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3K	Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor Descriptor: Beta-lactamase, PHOSPHATE ION, [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.4299 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3J	Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor Descriptor: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.7999 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3I	Crystal structure of AmpC beta-lactamase in complex with a designed 3-carboxyl benzyl sulfonamide boronic acid inhibitor Descriptor: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4DXC	Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group Descriptor: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION Authors: van den Akker, F, Ke, W. Deposit date: 2012-02-27 Release date: 2012-08-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation. Plos One, 7, 2012
4DXB	2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group Descriptor: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION Authors: van den Akker, F, Ke, W. Deposit date: 2012-02-27 Release date: 2012-08-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation. Plos One, 7, 2012
4DF6	Crystal Structure of the inhibitor NXL104 Covalent Adduct with TB B-lactamase Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION Authors: Hazra, S, Blanchard, J. Deposit date: 2012-01-23 Release date: 2012-07-18 Last modified: 2015-06-03 Method: X-RAY DIFFRACTION (2.29 Å) Cite: NXL104 irreversibly inhibits the {beta}-lactamase from Mycobacterium tuberculosis. Biochemistry, 51, 2012
4DE3	CTX-M-9 class A beta-lactamase complexed with compound 4 Descriptor: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE Authors: Nichols, D.A, Chen, Y. Deposit date: 2012-01-19 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DE2	CTX-M-9 class A beta-lactamase complexed with compound 12 Descriptor: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE Authors: Nichols, D.A, Chen, Y. Deposit date: 2012-01-19 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DE1	CTX-M-9 class A beta-lactamase complexed with compound 18 Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide Authors: Nichols, D.A, Chen, Y. Deposit date: 2012-01-19 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DE0	CTX-M-9 class A beta-lactamase complexed with compound 16 Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide Authors: Nichols, D.N, Chen, Y. Deposit date: 2012-01-19 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DDY	CTX-M-9 class A beta-lactamase complexed with compound 10 Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide Authors: Nichols, D.A, Chen, Y. Deposit date: 2012-01-19 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DDS	CTX-M-9 class A beta-lactamase complexed with compound 11 Descriptor: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE Authors: Nichols, D.A, Chen, Y. Deposit date: 2012-01-19 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4D2O	Crystal structure of the class A extended-spectrum beta-lactamase PER- 2 Descriptor: PER-2 BETA-LACTAMASE Authors: Power, P, Herman, R, Ruggiero, M, Kerff, F, Galleni, M, Gutkind, G, Charlier, P, Sauvage, E. Deposit date: 2014-05-12 Release date: 2014-05-21 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the Extended-Spectrum Beta-Lactamase Per- 2 and Insights Into the Role of Specific Residues in the Interaction with Beta-Lactams and Beta-Lactamase Inhibitors. Antimicrob.Agents Chemother., 58, 2014

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