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3LY3	Crystal Structure of fluorophore-labeled Class A Beta-lactamase PenP Descriptor: Beta-lactamase Authors: Zhao, Y.X, Leung, Y.C, Wong, W.T. Deposit date: 2010-02-26 Release date: 2011-03-02 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of fluorophore-labeled Class A Beta-lactamase PenP To be Published
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
3M2J	Crystal Structure of fluorescein-labeled Class A -lactamase PenP Descriptor: 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Beta-lactamase, SULFATE ION 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 (1.8 Å) Cite: Crystal Structure of fluorescein-labeled Class A -lactamase PenP 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
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
7MDC	Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... Authors: Velilla, J.A, Volpe, M.R, Gaudet, R. Deposit date: 2021-04-03 Release date: 2022-09-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.7 Å) Cite: A small molecule inhibitor prevents gut bacterial genotoxin production. Nat.Chem.Biol., 19, 2023
7MDE	Full-length S95A ClbP Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... Authors: Velilla, J.A, Volpe, M.R, Gaudet, R. Deposit date: 2021-04-04 Release date: 2022-09-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
7MDF	Full-length S95A ClbP bound to N-acyl-D-asparagine analog Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... Authors: Velilla, J.A, Volpe, M.R, Gaudet, R. Deposit date: 2021-04-04 Release date: 2022-09-28 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
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
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
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
4Y7P	Structure of alkaline D-peptidase from Bacillus cereus Descriptor: Alkaline D-peptidase, THIOCYANATE ION Authors: Nakano, S, Okazaki, S, Ishitsubo, E, Kawahara, N, Komeda, H, Tokiwa, H, Asano, Y. Deposit date: 2015-02-15 Release date: 2015-10-14 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural and computational analysis of peptide recognition mechanism of class-C type penicillin binding protein, alkaline D-peptidase from Bacillus cereus DF4-B Sci Rep, 5, 2015
5JOC	Crystal structure of the S61A mutant of AmpC BER Descriptor: Beta-lactamase, CITRIC ACID Authors: Na, J.H, An, Y.J, Cha, S.S. Deposit date: 2016-05-02 Release date: 2017-05-03 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural basis for the extended substrate spectrum of AmpC BER and structure-guided discovery of the inhibition activity of citrate against the class C beta-lactamases AmpC BER and CMY-10. Acta Crystallogr D Struct Biol, 72, 2016
5K1F	Crystal structure of a class C beta lactamase/compound2 complex Descriptor: Beta-lactamase, CADMIUM ION, INOSINIC ACID Authors: An, Y.J, Na, J.H, Cha, S.S. Deposit date: 2016-05-18 Release date: 2017-05-17 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.94 Å) Cite: GMP and IMP Are Competitive Inhibitors of CMY-10, an Extended-Spectrum Class C beta-Lactamase. Antimicrob. Agents Chemother., 61, 2017
2DCF	Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... Authors: Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S. Deposit date: 2006-01-06 Release date: 2007-01-09 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase J.Mol.Biol., 370, 2007
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
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
2DRW	The crystal structutre of D-amino acid amidase from Ochrobactrum anthropi SV3 Descriptor: BARIUM ION, D-Amino acid amidase Authors: Okazaki, S, Suzuki, A, Komeda, H, Asano, Y, Yamane, T. Deposit date: 2006-06-15 Release date: 2006-07-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structure and Functional Characterization of a D-Stereospecific Amino Acid Amidase from Ochrobactrum anthropi SV3, a New Member of the Penicillin-recognizing Proteins J.Mol.Biol., 368, 2007
2BLS	AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI Descriptor: AMPC BETA-LACTAMASE Authors: Usher, K.C, Wery, J.-P, Blaszczak, L.C, Remington, S.J. Deposit date: 1998-06-03 Release date: 1998-08-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Three-dimensional structure of AmpC beta-lactamase from Escherichia coli bound to a transition-state analogue: possible implications for the oxyanion hypothesis and for inhibitor design. Biochemistry, 37, 1998
2E8I	Structure of 6-aminohexanoate-dimer hydrolase, D1 mutant Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... Authors: Shibata, N, Higuchi, Y, Negoro, S. Deposit date: 2007-01-20 Release date: 2008-01-15 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold. Febs J., 276, 2009
5K1D	Crystal structure of a class C beta lactamase/compound1 complex Descriptor: Beta-lactamase, CADMIUM ION, GUANOSINE-5'-MONOPHOSPHATE Authors: AN, Y.J, Na, J.H, Cha, S.S. Deposit date: 2016-05-18 Release date: 2017-05-17 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.94 Å) Cite: GMP and IMP Are Competitive Inhibitors of CMY-10, an Extended-Spectrum Class C beta-Lactamase. Antimicrob. Agents Chemother., 61, 2017
2BLM	BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C AT 2 ANGSTROMS RESOLUTION Descriptor: BETA-LACTAMASE Authors: Moews, P.C, Knox, J.R, Dideberg, O. Deposit date: 1990-02-02 Release date: 1990-10-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Beta-lactamase of Bacillus licheniformis 749/C at 2 A resolution. Proteins, 7, 1990

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