PDB: 1007 件ウェブページステータス検索Chemie searchBIRD

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4OOY	Avibactam and class C beta-lactamases: mechanism of inhibition, conservation of binding pocket and implications for resistance 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase 著者 Lahiri, S.D, Olivier, N.B, Alm, R.A. 登録日 2014-02-04 公開日 2014-08-20 最終更新日 2018-02-14 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Avibactam and Class C beta-Lactamases: Mechanism of Inhibition, Conservation of the Binding Pocket, and Implications for Resistance. Antimicrob.Agents Chemother., 58, 2014
4QD4	Structure of ADC-68, a Novel Carbapenem-Hydrolyzing Class C Extended-Spectrum -Lactamase from Acinetobacter baumannii 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase ADC-68, CITRIC ACID 著者 Hong, M.K, Kang, L.W. 登録日 2014-05-13 公開日 2015-01-21 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of ADC-68, a novel carbapenem-hydrolyzing class C extended-spectrum beta-lactamase isolated from Acinetobacter baumannii Acta Crystallogr.,Sect.D, 70, 2014
4E3J	Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7999 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
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
1FSY	AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID 分子名称: CEPHALOSPORINASE, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID, PHOSPHATE ION 著者 Caselli, E, Powers, R.A, Blasczcak, 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 (1.75 Å) 主引用文献 Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases. Chem.Biol., 8, 2001
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
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 2024-06-19 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
4E3I	Crystal structure of AmpC beta-lactamase in complex with a designed 3-carboxyl benzyl sulfonamide boronic acid inhibitor 分子名称: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3L	Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3K	Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4299 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3N	Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
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
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
1FCN	Crystal Structure of the E. Coli AMPC Beta-Lactamase Mutant Q120L/Y150E Covalently Acylated with the Substrate Beta-Lactam LORACARBEF 分子名称: BETA-LACTAMASE, LORACABEF (Open form) 著者 Patera, A, Blaszczak, L.C, Shoichet, B.K. 登録日 2000-07-18 公開日 2000-12-04 最終更新日 2021-11-03 実験手法 X-RAY DIFFRACTION (2.35 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
4E3M	Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
1GA0	STRUCTURE OF THE E. CLOACAE GC1 BETA-LACTAMASE WITH A CEPHALOSPORIN SULFONE INHIBITOR 分子名称: 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID, BETA-LACTAMASE, GLYCEROL, ... 著者 Crichlow, G.V, Nukaga, M, Buynak, J.D, Knox, J.R. 登録日 2000-11-28 公開日 2001-06-06 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Inhibition of class C beta-lactamases: structure of a reaction intermediate with a cephem sulfone. Biochemistry, 40, 2001
4E6X	ClbP in complex boron-based inhibitor 分子名称: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, ClbP peptidase, PHOSPHATE ION 著者 Cougnoux, A, Delmas, J, Bonnet, R. 登録日 2012-03-16 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria To be Published
4E3O	Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor 分子名称: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, Beta-lactamase, PHOSPHATE ION 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4BLM	BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C. REFINEMENT AT 2 ANGSTROMS RESOLUTION AND ANALYSIS OF HYDRATION 分子名称: BETA-LACTAMASE, SULFATE ION 著者 Knox, J.R, Moews, P.C. 登録日 1991-05-28 公開日 1993-01-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Beta-lactamase of Bacillus licheniformis 749/C. Refinement at 2 A resolution and analysis of hydration. J.Mol.Biol., 220, 1991
1GCE	STRUCTURE OF THE BETA-LACTAMASE OF ENTEROBACTER CLOACAE GC1 分子名称: BETA-LACTAMASE 著者 Crichlow, G.V, Kuzin, A.P, Nukaga, M, Sawai, T, Knox, J.R. 登録日 1999-05-17 公開日 1999-08-27 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of the extended-spectrum class C beta-lactamase of Enterobacter cloacae GC1, a natural mutant with a tandem tripeptide insertion. Biochemistry, 38, 1999
4E6W	ClbP in complex with 3-aminophenyl boronic acid 分子名称: ClbP peptidase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION 著者 Cougnoux, A, Delmas, J, Bonnet, R. 登録日 2012-03-16 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria To be Published
1GA9	CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID) 分子名称: 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID, BETA-LACTAMASE, PHOSPHATE ION, ... 著者 Tondi, D, Powers, R.A, Caselli, E, Negri, M.C, Blazquez, J, Costi, M.P, Shoichet, B.K. 登録日 2000-11-29 公開日 2001-07-25 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase. Chem.Biol., 8, 2001
4U0X	Structure of ADC-7 beta-lactamase in complex with boronic acid inhibitor S02030 分子名称: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ADC-7 beta-lactamase, PHOSPHATE ION 著者 Powers, R.A, Wallar, B.J, Swanson, H.C. 登録日 2014-07-14 公開日 2014-11-19 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii. Biochemistry, 53, 2014
1FR1	REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS 分子名称: 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 2024-02-07 実験手法 X-RAY DIFFRACTION (2 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
1FCM	CRYSTAL STRUCTURE OF THE E.COLI AMPC BETA-LACTAMASE MUTANT Q120L/Y150E COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, CLOXACILLIN 分子名称: BETA-LACTAMASE, CLOXACILLIN (OPEN FORM) 著者 Patera, A, Blaszczak, L.C, Shoichet, B.K. 登録日 2000-07-18 公開日 2000-12-04 最終更新日 2021-11-03 実験手法 X-RAY DIFFRACTION (2.46 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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