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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
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
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
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
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
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
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
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
1BLS	CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG Descriptor: (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID, BETA-LACTAMASE Authors: Knox, J.R, Moews, P.C, Lobkovsky, E. Deposit date: 1993-12-17 Release date: 1995-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystallographic structure of a phosphonate derivative of the Enterobacter cloacae P99 cephalosporinase: mechanistic interpretation of a beta-lactamase transition-state analog. Biochemistry, 33, 1994
1C3B	AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR, BENZO(B)THIOPHENE-2-BORONIC ACID (BZB) Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, CEPHALOSPORINASE Authors: Powers, R.A, Blazquez, J, Weston, G.S, Morosini, M.I, Baquero, F, Shoichet, B.K. Deposit date: 1999-07-27 Release date: 1999-11-24 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: The complexed structure and antimicrobial activity of a non-beta-lactam inhibitor of AmpC beta-lactamase. Protein Sci., 8, 1999
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
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
2FFY	AmpC beta-lactamase N289A mutant in complex with a boronic acid deacylation transition state analog compound SM3 Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... Authors: Chen, Y, Minasov, G, Roth, T.A, Prati, F, Shoichet, B.K. Deposit date: 2005-12-20 Release date: 2006-03-28 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.07 Å) Cite: The deacylation mechanism of AmpC beta-lactamase at ultrahigh resolution J.Am.Chem.Soc., 128, 2006
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
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
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
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
2HDR	AmpC beta-lactamase in complex with 4-Amino-3-hydroxybenzoic acid Descriptor: 4-AMINO-3-HYDROXYBENZOIC ACID, Beta-lactamase, PHOSPHATE ION Authors: Babaoglu, K, Shoichet, B.K. Deposit date: 2006-06-20 Release date: 2006-11-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Deconstructing fragment-based inhibitor discovery Nat.Chem.Biol., 2, 2006
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
2HDS	AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid Descriptor: 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, Beta-lactamase, PHOSPHATE ION, ... Authors: Babaoglu, K, Shoichet, B.K. Deposit date: 2006-06-20 Release date: 2006-11-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Deconstructing fragment-based inhibitor discovery Nat.Chem.Biol., 2, 2006
2HDU	AmpC beta-lactamase in complex with 2-acetamidothiophene-3-carboxylic acid Descriptor: 2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION, ... Authors: Babaoglu, K, Shoichet, B.K. Deposit date: 2006-06-20 Release date: 2006-11-07 Last modified: 2017-10-18 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Deconstructing fragment-based inhibitor discovery Nat.Chem.Biol., 2, 2006
2HDQ	AmpC beta-lactamase in complex with 2-carboxythiophene Descriptor: Beta-lactamase, THIOPHENE-2-CARBOXYLIC ACID Authors: Babaoglu, K, Shoichet, B.K. Deposit date: 2006-06-20 Release date: 2006-11-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Deconstructing fragment-based inhibitor discovery Nat.Chem.Biol., 2, 2006
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
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
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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