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3WRZ	N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (without soaking) Descriptor: Beta-lactamase, CALCIUM ION, CHLORIDE ION Authors: Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R. Deposit date: 2014-02-27 Release date: 2015-03-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site Acta Crystallogr.,Sect.D, 71, 2015
3WS0	N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-1A) Descriptor: Beta-lactamase, CALCIUM ION, CESIUM ION, ... Authors: Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R. Deposit date: 2014-02-27 Release date: 2015-03-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site Acta Crystallogr.,Sect.D, 71, 2015
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
7Y3Z	Structure of a novel carboxylesterase FEH from Acinetobacter sp. DL-2 Descriptor: Fenoxaprop-p-ethyl hydrolase Authors: Huang, Y, Liu, W.D, Zhang, Y.J, Duan, Y.J, Lu, M.L. Deposit date: 2022-06-13 Release date: 2023-07-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of a novel carboxylesterase FEH from Acinetobacter sp. DL-2 To Be Published
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
7PA5	Complex between the beta-lactamase CMY-2 with an inhibitory nanobody Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ... Authors: Frederic Cawez, F.C, Frederic Kerff, F.K, Moreno Galleni, M.G, Raphael Herman, R.H. Deposit date: 2021-07-29 Release date: 2022-11-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.184 Å) Cite: Development of Nanobodies as Theranostic Agents against CMY-2-Like Class C beta-Lactamases. Antimicrob.Agents Chemother., 67, 2023
7PU6	STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF OCTYL 4-NITROPHENYL HEXYLPHOSPHONATE Descriptor: Esterase, GLYCEROL, hexyl(octoxy)phosphinic acid Authors: Cea Rama, I, Sanz-Aparicio, J. Deposit date: 2021-09-28 Release date: 2022-07-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.92 Å) Cite: Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope. Febs J., 289, 2022
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
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
6FM6	Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes Descriptor: Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL Authors: Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S. Deposit date: 2018-01-30 Release date: 2018-05-30 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam. ChemMedChem, 13, 2018
6I30	Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C Descriptor: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301 Authors: Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J. Deposit date: 2018-11-02 Release date: 2019-02-20 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates. Biochim Biophys Acta Gen Subj, 1863, 2019
7PP3	STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Esterase, ... Authors: Cea-Rama, I, Sanz-Aparicio, J. Deposit date: 2021-09-13 Release date: 2022-07-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope. Febs J., 289, 2022
7PP8	STRUCTURE OF ESTER-HYDROLASE EH7 FROM METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ... Authors: Cea-Rama, I, Sanz-Aparicio, J. Deposit date: 2021-09-13 Release date: 2022-07-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope. Febs J., 289, 2022
5LWF	Structure of a single domain camelid antibody fragment cAb-G10S in complex with the BlaP beta-lactamase from Bacillus licheniformis Descriptor: ACETATE ION, Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-G10S Authors: Vettore, N, Kerff, F, Pain, C, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. Deposit date: 2016-09-16 Release date: 2017-11-15 Last modified: 2019-10-16 Method: X-RAY DIFFRACTION (2.56 Å) Cite: Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments To Be Published
4U0X	Structure of ADC-7 beta-lactamase in complex with boronic acid inhibitor S02030 Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ADC-7 beta-lactamase, PHOSPHATE ION Authors: Powers, R.A, Wallar, B.J, Swanson, H.C. Deposit date: 2014-07-14 Release date: 2014-11-19 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii. Biochemistry, 53, 2014
4U0T	Crystal structure of ADC-7 beta-lactamase Descriptor: ADC-7 beta-lactamase, PHOSPHATE ION Authors: Powers, R.A, Wallar, B.J. Deposit date: 2014-07-14 Release date: 2014-11-19 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii. Biochemistry, 53, 2014
9C6P	X-ray crystal structure of AmpC beta-lactamase with inhibitor Descriptor: 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase Authors: Liu, F, Shoichet, B.K. Deposit date: 2024-06-08 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (1.663 Å) Cite: Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
9C83	X-ray crystal structure of AmpC beta-lactamase with inhibitor Descriptor: AmpC Beta-lactamase, N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide Authors: Liu, F, Shoichet, B.K. Deposit date: 2024-06-11 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
9C84	X-ray crystal structure of AmpC beta-lactamase with inhibitor Descriptor: 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase Authors: Liu, F, Shoichet, B.K. Deposit date: 2024-06-12 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
9C81	X-ray crystal structure of AmpC beta-lactamase with inhibitor Descriptor: (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase Authors: Liu, F, Shoichet, B.K, Bassim, V. Deposit date: 2024-06-11 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
9C8J	X-ray crystal structure of AmpC beta-lactamase with inhibitor Descriptor: AmpC Beta-lactamase, N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide Authors: Liu, F, Shoichet, B.K. Deposit date: 2024-06-12 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
7CIN	Crystal structure of the extended-spectrum class C beta-lactamase AmpC BER with the ordered R2 loop Descriptor: Beta-lactamase, SULFATE ION Authors: Jeong, B.G, Cha, S.S. Deposit date: 2020-07-07 Release date: 2021-05-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.79006362 Å) Cite: Crystal structure of AmpC BER and molecular docking lead to the discovery of broad inhibition activities of halisulfates against beta-lactamases. Comput Struct Biotechnol J, 19, 2021
6NJK	Crystal structure of beta-lactamase from Sulfitobacter sp. EE-36 Descriptor: ACETATE ION, beta-lactamase Authors: Michalska, K, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2019-01-03 Release date: 2019-01-16 Last modified: 2019-12-18 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structure of beta-lactamase from Sulfitobacter sp. EE-36 To Be Published
1W7F	Crystal structure of the class A beta-lactamase BS3 inhibited with isocitrate Descriptor: BETA-LACTAMASE, ISOCITRIC ACID Authors: Petrella, S, Sauvage, E, Herman, R, Charlier, P. Deposit date: 2004-09-01 Release date: 2006-05-24 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of the Class a Beta-Lactamase Bs3 Bs3 Inhibited with Isocitrate To be Published
7MQN	Crystal structure of class C beta lactamase from Rhodobacter sphaeroides Descriptor: Beta-lactamase, PHOSPHATE ION Authors: Chang, C, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2021-05-05 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Crystal structure of class C beta lactamase from Rhodobacter sphaeroides To Be Published

 

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