7Y3Z
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5W13
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5W12
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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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1Y54
| Crystal structure of the native class C beta-lactamase from Enterobacter cloacae 908R complexed with BRL42715 | Descriptor: | (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID, Beta-lactamase | Authors: | Michaux, C, Charlier, P, Frere, J.-M, Wouters, J. | Deposit date: | 2004-12-02 | Release date: | 2005-03-29 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene)penem, in Complex with Enterobactercloacae 908R beta-Lactamase: Evidence for a Stereoselective Mechanism from Docking Studies J.Am.Chem.Soc., 127, 2005
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5WAE
| ADC-7 in complex with boronic acid transition state inhibitor CR167 | Descriptor: | 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid, Beta-lactamase | 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 (1.804 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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6NJK
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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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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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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
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4WZ4
| Crystal structure of P. aeruginosa AmpC | Descriptor: | Beta-lactamase, GLYCEROL, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid | Authors: | Ferguson, A.D. | Deposit date: | 2014-11-18 | Release date: | 2015-08-05 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors. ACS Infect Dis, 1, 2015
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9C84
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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
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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
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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
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9C8J
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1KE0
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1KE3
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1KDW
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1KVL
| X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product Forms of Cephalothin | Descriptor: | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, ... | Authors: | Beadle, B.M, Trehan, I, Focia, P.J, Shoichet, B.K. | Deposit date: | 2002-01-27 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase. Structure, 10, 2002
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1KDS
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4LV2
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4LV1
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6TBW
| Crystal structure of AmpC from E.coli with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | Authors: | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | Deposit date: | 2019-11-04 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes. Antimicrob.Agents Chemother., 65, 2021
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4LV3
| AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid | Descriptor: | (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION | Authors: | London, N, Eidam, O, Shoichet, B.K. | Deposit date: | 2013-07-25 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Covalent docking of large libraries for the discovery of chemical probes. Nat.Chem.Biol., 10, 2014
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