4KZB
 
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) | | 分子名称: | Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ8
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione) | | 分子名称: | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.282 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ4
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid) | | 分子名称: | 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4LV3
 | | AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid | | 分子名称: | (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | London, N, Eidam, O, Shoichet, B.K. | | 登録日 | 2013-07-25 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
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4LV1
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6KJP
 | | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | | 分子名称: | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase, SULFATE ION | | 著者 | Xiao, F, Dong, S, Feng, Y, Li, W. | | 登録日 | 2019-07-23 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
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4M3K
 | | Structure of a single domain camelid antibody fragment cAb-H7S in complex with the BlaP beta-lactamase from Bacillus licheniformis | | 分子名称: | Beta-lactamase, CHLORIDE ION, Camelid heavy-chain antibody variable fragment cAb-H7S | | 著者 | Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | | 登録日 | 2013-08-06 | | 公開日 | 2014-08-06 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
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6KJD
 | | lovastatin esterase PcEST inactive mutant S57A in complex with lovastatin | | 分子名称: | (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Pc15g00720 protein, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM | | 著者 | Liang, Y.J, Lu, X.F. | | 登録日 | 2019-07-22 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | | 主引用文献 | Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
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4KZ3
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | | 分子名称: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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6KSV
 | | Crystal structure of SurE with D-Leu | | 分子名称: | Alpha/beta hydrolase, D-LEUCINE, S-(2-acetamidoethyl) (2R)-2-azanyl-4-methyl-pentanethioate, ... | | 著者 | Zhai, R, Mori, T, Abe, I. | | 登録日 | 2019-08-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Heterochiral coupling in non-ribosomal peptide macrolactamization
Nat Catal, 2020
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6KSU
 | | Crystal structure of SurE | | 分子名称: | Alpha/beta hydrolase, MALONATE ION, SULFATE ION, ... | | 著者 | Zhai, R, Mori, T, Abe, I. | | 登録日 | 2019-08-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Heterochiral coupling in non-ribosomal peptide macrolactamization
Nat Catal, 2020
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6LC8
 | | Crystal structure of AmpC Ent385 complex form with avibactam | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, ... | | 著者 | Kawai, A, Doi, Y. | | 登録日 | 2019-11-18 | | 公開日 | 2020-04-22 | | 最終更新日 | 2022-03-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
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4LV0
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4LV2
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6LC7
 | | Crystal structure of AmpC Ent385 free form | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, GLYCEROL, ... | | 著者 | Kawai, A, Doi, Y. | | 登録日 | 2019-11-18 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
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6LC9
 | | Crystal structure of AmpC Ent385 complex form with ceftazidime | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, ACYLATED CEFTAZIDIME, Beta-lactamase, ... | | 著者 | Kawai, A, Doi, Y. | | 登録日 | 2019-11-18 | | 公開日 | 2020-04-22 | | 最終更新日 | 2022-03-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
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1CEG
 | | CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE | | 分子名称: | CEPHALOTHIN GROUP, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE | | 著者 | Knox, J.R, Kuzin, A.P. | | 登録日 | 1995-01-12 | | 公開日 | 1996-10-14 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
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1FSW
 | | AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID | | 分子名称: | CEPHALOSPORINASE, N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID, PHOSPHATE ION | | 著者 | Caselli, E, Powers, R.A, Blaszczak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K. | | 登録日 | 2000-09-11 | | 公開日 | 2001-03-14 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
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1FCO
 | | CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM | | 分子名称: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, BETA-LACTAMASE | | 著者 | Patera, A, Blaszczak, L.C, Shoichet, B.K. | | 登録日 | 2000-07-19 | | 公開日 | 2000-12-04 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
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1FCN
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1CEF
 | | CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE | | 分子名称: | CEFOTAXIME, C3' cleaved, open, ... | | 著者 | Knox, J.R, Kuzin, A.P. | | 登録日 | 1995-01-12 | | 公開日 | 1996-10-14 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
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1CI9
 | | DFP-INHIBITED ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI | | 分子名称: | DIISOPROPYL PHOSPHONATE, PROTEIN (CARBOXYLESTERASE) | | 著者 | Wagner, U.G, Petersen, E.I, Schwab, H, Kratky, C. | | 登録日 | 1999-04-08 | | 公開日 | 2001-12-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | EstB from Burkholderia gladioli: a novel esterase with a beta-lactamase fold reveals steric factors to discriminate between esterolytic and beta-lactam cleaving activity
Protein Sci., 11, 2002
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4KZ5
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine) | | 分子名称: | Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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1FR6
 | | REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS | | 分子名称: | 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, BETA-LACTAMASE | | 著者 | Oefner, C, D'Arcy, A, Daly, J.J, Winkler, F.K. | | 登録日 | 2000-09-07 | | 公開日 | 2001-01-17 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis.
Nature, 343, 1990
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4LCL
 | | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208) | | 分子名称: | ISOPROPYL ALCOHOL, Transesterase | | 著者 | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | | 登録日 | 2013-06-21 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
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