6U58
 
 | | Toho1 Beta Lactamase Glu166Gln Mutant | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Langan, P.S, Sullivan, B, Weiss, K.L. | | Deposit date: | 2019-08-27 | | Release date: | 2020-02-19 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | Probing the Role of the Conserved Residue Glu166 in a Class A Beta-Lactamase Using Neutron and X-ray Protein Crystallography
Acta Crystallogr.,Sect.D, 76, 2020
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6V6G
 | | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase | | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-05 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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6V6P
 | | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase | | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-05 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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6V1J
 | | Structure of KPC-2 bound to QPX7728 at 1.30 A | | Descriptor: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-11-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
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6V7I
 | | Structure of KPC-2 bound to Vaborbactam at 1.25 A | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-12-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
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6V5E
 | | Crystal structure of CTX-M-14 P167S/D240G beta-lactamase | | Descriptor: | Beta-lactamase | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-04 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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6V7T
 | | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime | | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-09 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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6VHS
 | | Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317 | | Descriptor: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Sacco, M.D, Chen, Y. | | Deposit date: | 2020-01-10 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.
J.Med.Chem., 63, 2020
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6TS9
 | | Crystal structure of GES-5 carbapenemase | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ... | | Authors: | Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L. | | Deposit date: | 2019-12-20 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeting the Class A Carbapenemase GES-5 via Virtual Screening.
Biomolecules, 10, 2020
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6UNB
 | | Crystal structure of CTX-M-14 in complex with temocillin | | Descriptor: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2019-10-11 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
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6VNU
 | | X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase | | Descriptor: | Beta-lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ... | | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Chen, Y. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M beta-Lactamase.
Chembiochem, 21, 2020
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6V8V
 | | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2 | | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-12 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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6V7H
 | | Structure of CTX-M-14 bound to Vaborbactam at 1.0 A | | Descriptor: | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-12-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
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6V83
 | | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1 | | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-10 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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6W34
 | | Crystal Structure of Class A Beta-lactamase from Bacillus cereus | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-08 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of Class A Beta-lactamase from
Bacillus cereus
To Be Published
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6TD0
 | | Crystal structure of vaborbactam bound to KPC-2 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2019-11-07 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
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6W33
 | | Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-08 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Class A Beta-lactamase from
Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate
To Be Published
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4OQI
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations | | Descriptor: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-09 | | Release date: | 2015-05-20 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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3VFH
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3VFF
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4OP8
 | | Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation | | Descriptor: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-05 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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4OPQ
 | | Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-06 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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4OPZ
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation in complex with boron-based inhibitor EC25 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, ACETATE ION, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-07 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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3V5M
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4PM8
 | | Crystal structure of CTX-M-14 S70G:S237A beta-lactamase at 1.17 Angstroms resolution | | Descriptor: | Beta-lactamase CTX-M-14, SULFATE ION | | Authors: | Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T. | | Deposit date: | 2014-05-20 | | Release date: | 2014-12-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.169 Å) | | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
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