5LL7
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![BU of 5ll7 by Molmil](/molmil-images/mine/5ll7) | Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | Descriptor: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | Deposit date: | 2016-07-26 | Release date: | 2018-02-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance. Chemmedchem, 13, 2018
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2WYX
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![BU of 2wyx by Molmil](/molmil-images/mine/2wyx) | Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant | Descriptor: | BETA-LACTAMSE TOHO-1 | Authors: | Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L. | Deposit date: | 2009-11-20 | Release date: | 2010-01-12 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.1 Å) | Cite: | Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant J.Mol.Biol., 396, 2010
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7D5J
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![BU of 7d5j by Molmil](/molmil-images/mine/7d5j) | |
7BH4
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![BU of 7bh4 by Molmil](/molmil-images/mine/7bh4) | XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico) | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BH5
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![BU of 7bh5 by Molmil](/molmil-images/mine/7bh5) | XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico) | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BH7
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![BU of 7bh7 by Molmil](/molmil-images/mine/7bh7) | Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24 | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BH6
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![BU of 7bh6 by Molmil](/molmil-images/mine/7bh6) | Room temperature, serial X-ray structure of CTX-M-15 collected on fixed target chips at Diamond Light Source I24 | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BH3
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![BU of 7bh3 by Molmil](/molmil-images/mine/7bh3) | XFEL structure of CTX-M-15 resting state | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7LK8
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![BU of 7lk8 by Molmil](/molmil-images/mine/7lk8) | Crystal structure of KPC-2 T215P mutant | Descriptor: | Beta-lactamase, SODIUM ION | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-01 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LLB
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![BU of 7llb by Molmil](/molmil-images/mine/7llb) | Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed meropenem | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LJK
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![BU of 7ljk by Molmil](/molmil-images/mine/7ljk) | Crystal structure of the deacylation deficient KPC-2 F72Y mutant | Descriptor: | Beta-lactamase | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-01-29 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LNL
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![BU of 7lnl by Molmil](/molmil-images/mine/7lnl) | Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LLH
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![BU of 7llh by Molmil](/molmil-images/mine/7llh) | KPC-2 F72Y mutant with acylated imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7DOO
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![BU of 7doo by Molmil](/molmil-images/mine/7doo) | Crystal Structure of PenA beta-Lactamase-Avibactam Complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Nukaga, M, Papp-Wallace, K.M, Bonomo, R.A. | Deposit date: | 2020-12-15 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Overcoming an Extremely Drug Resistant (XDR) Pathogen: Avibactam Restores Susceptibility to Ceftazidime for Burkholderia cepacia Complex Isolates from Cystic Fibrosis Patients. Acs Infect Dis., 3, 2017
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2X71
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![BU of 2x71 by Molmil](/molmil-images/mine/2x71) | Structural basis for the interaction of lactivicins with serine beta- lactamases | Descriptor: | (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID, BETA-LACTAMASE, ETHANOL, ... | Authors: | Sauvage, E, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | Deposit date: | 2010-02-22 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for the Interaction of Lactivicins with Serine Beta-Lactamases. J.Med.Chem., 53, 2010
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7E9A
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![BU of 7e9a by Molmil](/molmil-images/mine/7e9a) | Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S)) | Descriptor: | 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ... | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2021-03-03 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance. Chem.Commun.(Camb.), 57, 2021
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4ZAM
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![BU of 4zam by Molmil](/molmil-images/mine/4zam) | |
4ZJ1
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![BU of 4zj1 by Molmil](/molmil-images/mine/4zj1) | Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ... | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2015-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZJ2
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![BU of 4zj2 by Molmil](/molmil-images/mine/4zj2) | Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli :E166N mutant | Descriptor: | Beta-lactamase TEM | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, C.S, Schultz, P.G. | Deposit date: | 2015-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZBE
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![BU of 4zbe by Molmil](/molmil-images/mine/4zbe) | |
4ZJ3
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![BU of 4zj3 by Molmil](/molmil-images/mine/4zj3) | Crystal structure of cephalexin bound acyl-enzyme intermediate of Val216AcrF mutant TEM1 beta-lactamase from Escherichia coli: E166N and V216AcrF mutant. | Descriptor: | Beta-lactamase TEM | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2015-04-29 | Release date: | 2015-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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2CC1
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![BU of 2cc1 by Molmil](/molmil-images/mine/2cc1) | |
5A93
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![BU of 5a93 by Molmil](/molmil-images/mine/5a93) | 293K Joint X-ray Neutron with Cefotaxime: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY | Descriptor: | BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ... | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | NEUTRON DIFFRACTION (1.598 Å), X-RAY DIFFRACTION | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
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5A90
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![BU of 5a90 by Molmil](/molmil-images/mine/5a90) | 100K Neutron Ligand Free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | Descriptor: | BETA-LACTAMASE CTX-M-97 | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (1.7 Å) | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
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5A91
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![BU of 5a91 by Molmil](/molmil-images/mine/5a91) | 15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | Descriptor: | Beta-lactamase Toho-1, SULFATE ION | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
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