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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
4C3Q	Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1 Authors: Coates, L, Tomanicek, S.J, Schrader, T, Weiss, K.L, Ng, J.D, Ostermann, A. Deposit date: 2013-08-26 Release date: 2014-07-09 Last modified: 2017-03-22 Method: NEUTRON DIFFRACTION (2.2 Å) Cite: Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits J.Appl.Crystallogr., 47, 2014
4BLM	BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C. REFINEMENT AT 2 ANGSTROMS RESOLUTION AND ANALYSIS OF HYDRATION Descriptor: BETA-LACTAMASE, SULFATE ION Authors: Knox, J.R, Moews, P.C. Deposit date: 1991-05-28 Release date: 1993-01-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Beta-lactamase of Bacillus licheniformis 749/C. Refinement at 2 A resolution and analysis of hydration. J.Mol.Biol., 220, 1991
4BD1	Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE Authors: Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. Deposit date: 2012-10-04 Release date: 2013-01-16 Last modified: 2017-03-22 Method: NEUTRON DIFFRACTION (2.002 Å) Cite: Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288, 2013
4BD0	X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1, SULFATE ION Authors: Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. Deposit date: 2012-10-04 Release date: 2013-01-09 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.207 Å) Cite: Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288, 2013
4A5R	Crystal structure of class A beta-lactamase from Bacillus licheniformis BS3 with tazobactam Descriptor: BETA-LACTAMASE, CARBON DIOXIDE, CITRIC ACID, ... Authors: Power, P, Sauvage, E, Herman, R, Kerff, F, Charlier, P. Deposit date: 2011-10-28 Release date: 2012-10-10 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structure of Class a Beta-Lactamase from Bacillus Licheniformis Inhibited by Tazobactam To be Published

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