7PP3
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![BU of 7pp3 by Molmil](/molmil-images/mine/7pp3) | |
7PU6
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![BU of 7pu6 by Molmil](/molmil-images/mine/7pu6) | |
7ATL
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![BU of 7atl by Molmil](/molmil-images/mine/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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1RGY
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![BU of 1rgy by Molmil](/molmil-images/mine/1rgy) | Citrobacter freundii GN346 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID | Authors: | Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R. | Deposit date: | 2003-11-13 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes. J.Biol.Chem., 279, 2004
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1RGZ
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![BU of 1rgz by Molmil](/molmil-images/mine/1rgz) | Enterobacter cloacae GC1 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime | Descriptor: | GLYCEROL, class C beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID | Authors: | Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R. | Deposit date: | 2003-11-13 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes. J.Biol.Chem., 279, 2004
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1S6R
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![BU of 1s6r by Molmil](/molmil-images/mine/1s6r) | 908R class c beta-lactamase bound to iodo-acetamido-phenyl boronic acid | Descriptor: | 4-IODO-ACETAMIDO PHENYLBORONIC ACID, beta-lactamase | Authors: | Wouters, J. | Deposit date: | 2004-01-27 | Release date: | 2004-02-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystal structure of Enterobacter cloacae 908R class C beta-lactamase bound to iodo-acetamido-phenyl boronic acid, a transition-state analogue. Cell.Mol.Life Sci., 60, 2003
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1SDE
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![BU of 1sde by Molmil](/molmil-images/mine/1sde) | Toward Better Antibiotics: Crystal Structure Of D-Ala-D-Ala Peptidase inhibited by a novel bicyclic phosphate inhibitor | Descriptor: | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | Authors: | Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A. | Deposit date: | 2004-02-13 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Toward better antibiotics: crystallographic studies of a novel class of DD-peptidase/beta-lactamase inhibitors Biochemistry, 43, 2004
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1SCW
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![BU of 1scw by Molmil](/molmil-images/mine/1scw) | TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR | Descriptor: | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | Authors: | Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A. | Deposit date: | 2004-02-12 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Toward Better Antibiotics: Crystallographic Studies of a Novel Class of DD-Peptidase/beta-Lactamase Inhibitors. Biochemistry, 43, 2004
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8JB7
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![BU of 8jb7 by Molmil](/molmil-images/mine/8jb7) | Crystal structure of CMY-185 | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2023-05-08 | Release date: | 2023-12-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185. Mbio, 15, 2024
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8JB8
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![BU of 8jb8 by Molmil](/molmil-images/mine/8jb8) | Crystal structure of CMY-185 complex with ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2023-05-08 | Release date: | 2023-12-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185. Mbio, 15, 2024
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8J5V
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![BU of 8j5v by Molmil](/molmil-images/mine/8j5v) | |
5XHR
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![BU of 5xhr by Molmil](/molmil-images/mine/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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8TTP
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![BU of 8ttp by Molmil](/molmil-images/mine/8ttp) | Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-08-14 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam to be published
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6PWL
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![BU of 6pwl by Molmil](/molmil-images/mine/6pwl) | ADC-7 in complex with boronic acid transition state inhibitor LP06 | Descriptor: | (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid, Beta-lactamase, GLYCINE | Authors: | Curtis, B.C, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-07-23 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Insights into Inhibition of the Acinetobacter-Derived Cephalosporinase ADC-7 by Ceftazidime and Its Boronic Acid Transition State Analog. Antimicrob.Agents Chemother., 64, 2020
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6PWM
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![BU of 6pwm by Molmil](/molmil-images/mine/6pwm) | ADC-7 in complex with Beta-lactam antibiotic ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase, GLYCINE | Authors: | Curtis, B.C, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-07-23 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights into Inhibition of the Acinetobacter-Derived Cephalosporinase ADC-7 by Ceftazidime and Its Boronic Acid Transition State Analog. Antimicrob.Agents Chemother., 64, 2020
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5ZFL
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![BU of 5zfl by Molmil](/molmil-images/mine/5zfl) | Crystal structure of beta-lactamase PenP mutant E166Y | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | Authors: | Pan, X, Zhao, Y. | Deposit date: | 2018-03-06 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis. Sci Rep, 10, 2020
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5ZG6
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![BU of 5zg6 by Molmil](/molmil-images/mine/5zg6) | |
5ZH8
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![BU of 5zh8 by Molmil](/molmil-images/mine/5zh8) | Crystal Structure of FmtA from Staphylococcus aureus at 2.58 A | Descriptor: | GLYCEROL, Protein FmtA | Authors: | Dalal, V, Kumar, P, Golemi-Kotra, D, Kumar, P. | Deposit date: | 2018-03-12 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Repurposing an Ancient Protein Core Structure: Structural Studies on FmtA, a Novel Esterase of Staphylococcus aureus. J.Mol.Biol., 431, 2019
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5ZFT
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![BU of 5zft by Molmil](/molmil-images/mine/5zft) | |
5ZA2
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![BU of 5za2 by Molmil](/molmil-images/mine/5za2) | Fox-4 beta-lactamase complexed with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ... | Authors: | Nukaga, M, Hoshino, T, Papp-Wallace, K.M, Bonomo, R.A. | Deposit date: | 2018-02-06 | Release date: | 2018-03-07 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Probing the Mechanism of Inactivation of the FOX-4 Cephamycinase by Avibactam Antimicrob. Agents Chemother., 62, 2018
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8SDV
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![BU of 8sdv by Molmil](/molmil-images/mine/8sdv) | Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030 | Descriptor: | 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2023-04-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase. Antimicrob.Agents Chemother., 67, 2023
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8SDL
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![BU of 8sdl by Molmil](/molmil-images/mine/8sdl) | Crystal structure of PDC-3 beta-lactamase | Descriptor: | Beta-lactamase, IMIDAZOLE, ISOPROPYL ALCOHOL | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2023-04-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase. Antimicrob.Agents Chemother., 67, 2023
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8SDR
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![BU of 8sdr by Molmil](/molmil-images/mine/8sdr) | |
8SDN
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![BU of 8sdn by Molmil](/molmil-images/mine/8sdn) | Crystal structure of PDC-3 Y221H beta-lactamase | Descriptor: | Beta-lactamase, ISOPROPYL ALCOHOL | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2023-04-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase. Antimicrob.Agents Chemother., 67, 2023
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8SDT
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![BU of 8sdt by Molmil](/molmil-images/mine/8sdt) | |