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6B2N	Crystal structure of TEM-1 beta-lactamase mutant M182N Descriptor: Beta-lactamase TEM, SULFATE ION Authors: Jimah, J.R, Tolia, N.H. Deposit date: 2017-09-20 Release date: 2018-01-17 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2 Å) Cite: Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models. ACS Cent Sci, 3, 2017
6B68	Beta-Lactamase, 100ms timepoint, mixed, shards crystal form Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... Authors: Pandey, S, Schmidt, M. Deposit date: 2017-10-01 Release date: 2018-06-27 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 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
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
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
6BT6	CTX-M-14 S237A Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor Descriptor: Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide Authors: Pemberton, O.A, Chen, Y. Deposit date: 2017-12-05 Release date: 2018-06-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases. Antimicrob. Agents Chemother., 62, 2018
6C39	Apo crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) Descriptor: SODIUM ION, SULFATE ION, Serine-type D-Ala-D-Ala carboxypeptidase, ... Authors: Alexander, J.A.N, Strynadka, N.C.J. Deposit date: 2018-01-09 Release date: 2018-11-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Structural and kinetic analyses of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus. J. Biol. Chem., 293, 2018
6B1X	Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by soaking Descriptor: (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ... Authors: van den Akker, F, Nguyen, N.Q. Deposit date: 2017-09-19 Release date: 2018-08-01 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
6C3K	Apo crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) Descriptor: CHLORIDE ION, Penicillin-binding protein 4, SODIUM ION, ... Authors: Alexander, J.A.N, Strynadka, N.C.J. Deposit date: 2018-01-10 Release date: 2018-11-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural and kinetic analyses of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus. J. Biol. Chem., 293, 2018
4FCF	K234R: apo structure of inhibitor resistant beta-lactamase Descriptor: 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: Rodkey, E.A, van den Akker, F. Deposit date: 2012-05-24 Release date: 2012-12-26 Last modified: 2013-10-02 Method: X-RAY DIFFRACTION (1.09 Å) Cite: Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase. J.Med.Chem., 56, 2013
6BN3	CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase Authors: Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S. Deposit date: 2017-11-16 Release date: 2018-11-21 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.278 Å) Cite: Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam. Antimicrob.Agents Chemother., 65, 2021
4FD8	Structure of apo S70C SHV beta-lactamase Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: Rodkey, E.A, van den Akker, F. Deposit date: 2012-05-26 Release date: 2012-09-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
6BPF	CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase Authors: Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S. Deposit date: 2017-11-23 Release date: 2018-11-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.318 Å) Cite: Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam. Antimicrob.Agents Chemother., 65, 2021
5ZQE	Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the Cefuroxime bound form Descriptor: 2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 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 (1.996 Å) Cite: Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity Antimicrob. Agents Chemother., 62, 2018
4GKU	Crystal structure of beta lactamase in PET-15B Descriptor: Beta-lactamase TEM Authors: Zhang, Y, Cao, C. Deposit date: 2012-08-13 Release date: 2012-10-10 Method: X-RAY DIFFRACTION (1.915 Å) Cite: Crystal structure of beta lactamase in PET-15B To be published
4GD8	SHV-1 beta-lactamase in complex with penam sulfone SA3-53 Descriptor: (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: Pattanaik, P, van den Akker, F. Deposit date: 2012-07-31 Release date: 2013-07-31 Last modified: 2013-08-07 Method: X-RAY DIFFRACTION (1.6 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
6C7A	Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis Descriptor: Beta-lactamase Toho-1, SULFATE ION Authors: Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. Deposit date: 2018-01-22 Release date: 2018-03-21 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis Acs Catalysis, 8, 2018
6C78	Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis Descriptor: Beta-lactamase Toho-1 Authors: Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L. Deposit date: 2018-01-22 Release date: 2018-03-21 Last modified: 2024-03-13 Method: NEUTRON DIFFRACTION (1.75 Å) Cite: Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis Acs Catalysis, 8, 2018
4FH4	high-resolution structure of apo wt SHV-1 beta-lactamase Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: Rodkey, E.A, van den Akker, F. Deposit date: 2012-06-05 Release date: 2012-09-26 Last modified: 2013-07-24 Method: X-RAY DIFFRACTION (1.09 Å) Cite: Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
6BU3	CTX-M-27 Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor Descriptor: Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, SULFATE ION Authors: Pemberton, O.A, Chen, Y. Deposit date: 2017-12-08 Release date: 2018-06-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases. Antimicrob. Agents Chemother., 62, 2018
6C79	Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis 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, Beta-lactamase Toho-1, SULFATE ION Authors: Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. Deposit date: 2018-01-22 Release date: 2018-03-21 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis Acs Catalysis, 8, 2018
5ZQA	Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the apo form Descriptor: DI(HYDROXYETHYL)ETHER, Lmo2812 protein, MAGNESIUM ION 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 (1.55 Å) Cite: Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity Antimicrob. Agents Chemother., 62, 2018
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
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

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