7ATL
 
 | | EstCE1, a hydrolase with promiscuous acyltransferase activity | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ... | | Authors: | Palm, G.J, Lammers, M, Berndt, L. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.478 Å) | | Cite: | Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases.
Angew.Chem.Int.Ed.Engl., 60, 2021
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2BLS
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5WAD
 | | ADC-7 in complex with boronic acid transition state inhibitor CR161 | | Descriptor: | Beta-lactamase, PHOSPHATE ION, phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid | | Authors: | Powers, R.A, Wallar, B.J. | | Deposit date: | 2017-06-26 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
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2RCX
 | | AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid | | Descriptor: | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION | | Authors: | Morandi, F, Morandi, S, Prati, F, Shoichet, B.K. | | Deposit date: | 2007-09-20 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based optimization of cephalothin-analogue boronic acids as beta-lactamase inhibitors
Bioorg.Med.Chem., 16, 2008
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4WBG
 | | Crystal structure of class C beta-lactamase Mox-1 covalently complexed with aztorenam | | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, ACETATE ION, Beta-lactamase, ... | | Authors: | Oguri, T, Shimizu-ibuka, A, Ishii, Y. | | Deposit date: | 2014-09-03 | | Release date: | 2015-07-01 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational Change Observed in the Active Site of Class C beta-Lactamase MOX-1 upon Binding to Aztreonam
Antimicrob.Agents Chemother., 59, 2015
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4X68
 | | Crystal Structure of OP0595 complexed with AmpC | | Descriptor: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, NICKEL (II) ION | | Authors: | Yamada, M, Watanabe, T. | | Deposit date: | 2014-12-07 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer'
J.Antimicrob.Chemother., 70, 2015
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7Y3Z
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1O07
 | | Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG) | | Descriptor: | 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, POTASSIUM ION | | Authors: | Meroueh, S.O, Minasov, G, Lee, W, Shoichet, B.K, Mobashery, S. | | Deposit date: | 2003-02-20 | | Release date: | 2003-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural Aspects for Evolution of beta-Lactamases from Penicillin-Binding Proteins
J.Am.Chem.Soc., 125, 2003
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6W2Z
 | | Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, 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 (1.5 Å) | | Cite: | Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam
To Be Published
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5WAF
 | | ADC-7 in complex with boronic acid transition state inhibitor CR192 | | Descriptor: | Beta-lactamase, phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid | | Authors: | Powers, R.A, Wallar, B.J. | | Deposit date: | 2017-06-26 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
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5WAC
 | | ADC-7 in complex with boronic acid transition state inhibitor CR157 | | Descriptor: | Beta-lactamase, phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid | | Authors: | Powers, R.A, Wallar, B.J. | | Deposit date: | 2017-06-26 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.061 Å) | | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
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5WAG
 | | ADC-7 in complex with boronic acid transition state inhibitor S06017 | | Descriptor: | 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, SUCCINIC ACID | | Authors: | Powers, R.A, Wallar, B.J. | | Deposit date: | 2017-06-26 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.931 Å) | | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
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3LY3
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3LY4
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3M2K
 | | Crystal Structure of fluorescein-labeled Class A -beta lactamase PenP in complex with cefotaxime | | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | | Authors: | Zhao, Y.X, Leung, Y.C, Wong, W.T. | | Deposit date: | 2010-03-07 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural studies of the mechanism for biosensing antibiotics in a fluorescein-labeled beta-lactamase.
BMC Struct. Biol., 11, 2011
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5XHR
 | | Crystal structure of P99 beta-lactamase in complex with a penicillin derivative MPC-1 | | Descriptor: | (2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | | Authors: | Pan, X, Zhao, Y. | | Deposit date: | 2017-04-24 | | Release date: | 2017-09-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Modified Penicillin Molecule with Carbapenem-Like Stereochemistry Specifically Inhibits Class C beta-Lactamases
Antimicrob. Agents Chemother., 61, 2017
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2HDS
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2HDU
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2HDQ
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2I72
 | | AmpC beta-lactamase in complex with 5-diformylaminomethyl-benzo[b]thiophen-2-boronic acid | | Descriptor: | Beta-lactamase, {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID | | Authors: | Venturelli, A, Cancian, L, Tondi, D, Morandi, F, Cannazza, G, Segatore, B, Prati, F, Amicosante, G, Shoichet, B.K, Costi, M.P. | | Deposit date: | 2006-08-30 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimizing Cell Permeation of an Antibiotic Resistance Inhibitor for Improved Efficacy
J.Med.Chem., 50, 2007
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3VWL
 | | Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | | Deposit date: | 2012-08-30 | | Release date: | 2013-10-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
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4GB7
 | | Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis | | Descriptor: | 1,2-ETHANEDIOL, 6-aminohexanoate-dimer hydrolase, NITRATE ION | | Authors: | Osipiuk, J, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-07-26 | | Release date: | 2012-08-08 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis.
To be Published
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7SPN
 | | Crystal structure of IS11, a thermophilic esterase | | Descriptor: | IS11 | | Authors: | Stogios, P.J, Evdokimova, E, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | | Deposit date: | 2021-11-02 | | Release date: | 2022-08-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Crystal structure of IS11, a thermophilic esterase
To Be Published
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6G9T
 | | CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE | | Descriptor: | Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Zavala, A, Retailleau, P, Naas, T, Iorga, B. | | Deposit date: | 2018-04-11 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant.
Acs Infect Dis., 5, 2019
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6FM7
 | | Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Di Pisa, F, Docquier, J.D, Mangani, S. | | Deposit date: | 2018-01-30 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
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