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3G31	CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1) Descriptor: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... Authors: Chen, Y, Shoichet, B.K. Deposit date: 2009-02-01 Release date: 2009-03-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
3G30	CTX-M-9 class A beta-lactamase complexed with compound 3 (G30) Descriptor: (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid, Beta-lactamase CTX-M-9a Authors: Chen, Y, Shoichet, B.K. Deposit date: 2009-02-01 Release date: 2009-03-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
3HRE	X-ray crystallographic structure of CTX-M-9 S70G Descriptor: CTX-M-9 extended-spectrum beta-lactamase, PHOSPHATE ION Authors: Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. Deposit date: 2009-06-09 Release date: 2010-06-16 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Structural insights into substrate recognition and product expulsion in CTX-M enzymes. J.Mol.Biol., 400, 2010
3G2Z	CTX-M-9 class A beta-lactamase complexed with compound 2 (GZ2) Descriptor: 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE Authors: Chen, Y, Shoichet, B.K. Deposit date: 2009-02-01 Release date: 2009-03-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
3G35	CTX-M-9 class A beta-lactamase complexed with compound 12 (F13) Descriptor: 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE Authors: Chen, Y, Shoichet, B.K. Deposit date: 2009-02-01 Release date: 2009-03-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.41 Å) Cite: Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
3HLW	CTX-M-9 S70G in complex with cefotaxime Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase Authors: Delmas, J, Leyssne, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. Deposit date: 2009-05-28 Release date: 2010-06-02 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural insights into substrate recognition and product expulsion in CTX-M enzymes. J.Mol.Biol., 400, 2010
3HUN	Crystal structure of Penicillin binding protein 4 from Staphylococcus aureus COL in complex with Ampicillin Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4 Authors: Navratna, V, Gopal, B. Deposit date: 2009-06-15 Release date: 2009-11-10 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Molecular basis for the role of Staphylococcus aureus Penicillin Binding Protein 4 in antimicrobial resistance J.Bacteriol., 2009
3IQA	Crystal Structure of BlaC covalently bound 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, Beta-lactamase, PHOSPHATE ION Authors: Tremblay, L.W, Blanchard, J.S. Deposit date: 2009-08-19 Release date: 2010-04-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem. Biochemistry, 49, 2010
3HUO	X-ray crystallographic structure of CTX-M-9 S70G in complex with benzylpenicillin Descriptor: (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase, PENICILLIN G Authors: Delmas, J, Leyssene, D, Dubois, D, Robin, F, Bonnet, R. Deposit date: 2009-06-15 Release date: 2010-05-26 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Dynamic view of the early and late steps of the catalytic mechanism mediated by the emerging enzymes CTX-M. To be Published
3HUM	Crystal structure of Penicillin binding protein 4 from Staphylococcus aureus COL in complex with Cefotaxime Descriptor: (2R)-2-[(1R)-1-({[(2R)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 4 Authors: Navratna, V, Gopal, B. Deposit date: 2009-06-15 Release date: 2009-11-10 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Molecular basis for the role of Staphylococcus aureus Penicillin Binding Protein 4 in antimicrobial resistance J.Bacteriol., 2009
3G34	CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE) Descriptor: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... Authors: Chen, Y, Shoichet, B.K. Deposit date: 2009-02-01 Release date: 2009-03-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.31 Å) Cite: Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
3HVF	X-ray crystallographic structure of CTX-M-9 S70G in complex with hydrolyzed benzylpenicillin Descriptor: (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase Authors: Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. Deposit date: 2009-06-16 Release date: 2010-05-26 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural insights into substrate recognition and product expulsion in CTX-M enzymes. J.Mol.Biol., 400, 2010
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
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
4GD6	SHV-1 beta-lactamase in complex with penam sulfone SA1-204 Descriptor: (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: van den Akker, F, Wei, K. Deposit date: 2012-07-31 Release date: 2013-07-31 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 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
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
4GDB	SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor Descriptor: (7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ... Authors: Ke, W, van den Akker, F. Deposit date: 2012-07-31 Release date: 2013-07-31 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
5ZQB	Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the Penicillin G bound form Descriptor: GLYCEROL, Lmo2812 protein, OPEN FORM - PENICILLIN G Authors: Jeong, J.H, Kim, Y.G. Deposit date: 2018-04-18 Release date: 2018-07-25 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.896 Å) Cite: Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity Antimicrob. Agents Chemother., 62, 2018
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
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
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
5ZB7	CTX-M-64 apoenzyme Descriptor: Beta-lactamase Authors: Cheng, Q, Chen, S. Deposit date: 2018-02-10 Release date: 2019-02-13 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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
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

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