PDB: 968 件ウェブページステータス検索Chemie searchBIRD

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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
4IVI	Crystal structure of a family VIII carboxylesterase. 分子名称: Carboxylesterase, SULFATE ION 著者 An, Y.J, Kim, M.-K, Jeong, C.-S, Cha, S.-S. 登録日 2013-01-23 公開日 2013-06-19 最終更新日 2018-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural basis for the beta-lactamase activity of EstU1, a family VIII carboxylesterase. Proteins, 81, 2013
4GDN	Structure of FmtA-like protein 分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein flp 著者 Cougnoux, A, Gibold, L, Delmas, J, Robin, F, Dalmasso, G, Bonnet, R. 登録日 2012-08-01 公開日 2012-10-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Analysis of Structure-Function Relationships in the Colibactin-Maturating Enzyme ClbP. J.Mol.Biol., 424, 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
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
4JXS	X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-[(4-CARBOXYBENZYL)SULFAMOYL]THIOPHENE-2-CARBOXYLIC ACID (compound 4) 分子名称: 3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Powers, R.A, Hendershot, J.M. 登録日 2013-03-28 公開日 2014-05-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase. Bioorg.Med.Chem., 22, 2014
4JXW	X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[3-(4-CARBOXYPHENYL)PROPYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 6) 分子名称: 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Powers, R.A, Hendershot, J.M. 登録日 2013-03-28 公開日 2014-05-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase. Bioorg.Med.Chem., 22, 2014
1WYC	Structure of 6-aminohexanoate-dimer hydrolase, DN mutant 分子名称: 6-aminohexanoate-dimer hydrolase 著者 Negoro, S, Ohki, T, Shibata, N, Mizuno, N, Wakitani, Y, Tsurukame, J, Matsumoto, K, Kawamoto, I, Takeo, M, Higuchi, Y. 登録日 2005-02-09 公開日 2006-02-21 最終更新日 2021-11-10 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase J.Mol.Biol., 370, 2007
1WYB	Structure of 6-aminohexanoate-dimer hydrolase 分子名称: 6-aminohexanoate-dimer hydrolase 著者 Negoro, S, Ohki, T, Shibata, N, Mizuno, N, Wakitani, Y, Tsurukame, J, Matsumoto, K, Kawamoto, I, Takeo, M, Higuchi, Y. 登録日 2005-02-09 公開日 2005-09-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of 6-aminohexanoate-dimer hydrolase To be Published
1XGJ	AmpC beta-lactamase in complex with 3-(4-carboxy-2-hydroxy-phenylsulfamoyl)-thiophene-2-carboxylic acid 分子名称: 3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID, Beta-lactamase 著者 Tondi, D, Morandi, F, Bonnet, R, Costi, M.P, Shoichet, B.K. 登録日 2004-09-17 公開日 2005-05-03 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture. J.Am.Chem.Soc., 127, 2005
1XX2	Refinement of P99 beta-lactamase from Enterobacter cloacae 分子名称: Beta-lactamase 著者 Knox, J.R, Sun, T. 登録日 2004-11-03 公開日 2004-11-23 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Crystallographic structure of a phosphonate derivative of the Enterobacter cloacae P99 cephalosporinase: mechanistic interpretation of a beta-lactamase transition-state analog. Biochemistry, 33, 1994
1XGI	AmpC beta-lactamase in complex with 3-(3-nitro-phenylsulfamoyl)-thiophene-2-carboxylic acid 分子名称: 3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID, Beta-lactamase 著者 Tondi, D, Morandi, F, Bonnet, R, Costi, M.P, Shoichet, B.K. 登録日 2004-09-17 公開日 2005-05-03 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture. J.Am.Chem.Soc., 127, 2005
1W7F	Crystal structure of the class A beta-lactamase BS3 inhibited with isocitrate 分子名称: BETA-LACTAMASE, ISOCITRIC ACID 著者 Petrella, S, Sauvage, E, Herman, R, Charlier, P. 登録日 2004-09-01 公開日 2006-05-24 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of the Class a Beta-Lactamase Bs3 Bs3 Inhibited with Isocitrate To be Published
1ZKJ	Structural Basis for the Extended Substrate Spectrum of CMY-10, a Plasmid-Encoded Class C beta-lactamase 分子名称: ACETIC ACID, ZINC ION, extended-spectrum beta-lactamase 著者 Cha, S.S, Jung, H.I, An, Y.J, Lee, S.H. 登録日 2005-05-03 公開日 2006-04-18 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural basis for the extended substrate spectrum of CMY-10, a plasmid-encoded class C beta-lactamase. Mol.Microbiol., 60, 2006
1ZC2	Crystal Structure of plasmid-encoded class C beta-lactamase CMY-2 complexed with citrate molecule 分子名称: CITRIC ACID, beta-lactamase class C 著者 Bauvois, C, Jacquamet, L, Fieulaine, S, Frere, J.-M, Galleni, M, Ferrer, J.-L. 登録日 2005-04-10 公開日 2006-04-25 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Crystallographic structure of plasmid-encoded CMY-2 beta-lactamase revealed citrate molecule in the active site. To be Published
1YQS	Inhibition of the R61 DD-Peptidase by N-benzoyl-beta-sultam 分子名称: 2-(BENZOYLAMINO)ETHANESULFONIC ACID, D-alanyl-D-alanine carboxypeptidase, GLYCEROL 著者 Ahmed, N, Cordaro, M, Laws, A.P, Delmarcelle, M, Silvaggi, N.R, Kelly, J.A, Page, M.I. 登録日 2005-02-02 公開日 2005-06-28 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Inactivation of Bacterial dd-Peptidase by beta-Sultams. Biochemistry, 44, 2005
1Y54	Crystal structure of the native class C beta-lactamase from Enterobacter cloacae 908R complexed with BRL42715 分子名称: (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID, Beta-lactamase 著者 Michaux, C, Charlier, P, Frere, J.-M, Wouters, J. 登録日 2004-12-02 公開日 2005-03-29 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 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
1MBL	A catalytically-impaired class A beta-lactamase: 2 Angstroms crystal structure and kinetics of the Bacillus licheniformis E166A mutant 分子名称: BETA-LACTAMASE, SULFATE ION 著者 Knox, J.R, Moews, P.C. 登録日 1992-08-17 公開日 1994-01-31 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A catalytically-impaired class A beta-lactamase: 2 A crystal structure and kinetics of the Bacillus licheniformis E166A mutant. Protein Eng., 6, 1993
1MPL	CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE 分子名称: D-alanyl-D-alanine carboxypeptidase, GLYCEROL, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE 著者 Silvaggi, N.R, Anderson, J.W, Brinsmade, S.R, Pratt, R.F, Kelly, J.A. 登録日 2002-09-12 公開日 2003-02-25 最終更新日 2019-07-24 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 The Crystal Structure of Phosphonate-Inhibited d-Ala-d-Ala Peptidase Reveals an Analogue of a Tetrahedral Transition State. Biochemistry, 42, 2003
1O07	Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG) 分子名称: 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, POTASSIUM ION 著者 Meroueh, S.O, Minasov, G, Lee, W, Shoichet, B.K, Mobashery, S. 登録日 2003-02-20 公開日 2003-08-26 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Structural Aspects for Evolution of beta-Lactamases from Penicillin-Binding Proteins J.Am.Chem.Soc., 125, 2003
1MXO	AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION 著者 Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. 登録日 2002-10-02 公開日 2003-03-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Nanomolar inhibitors of AmpC beta-lactamase. J.Am.Chem.Soc., 125, 2003
1MY8	AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase 著者 Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. 登録日 2002-10-03 公開日 2003-03-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Nanomolar inhibitors of AmpC beta-lactamase. J.Am.Chem.Soc., 125, 2003
1PI5	Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... 著者 Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K. 登録日 2003-05-29 公開日 2004-02-24 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Thermodynamic cycle analysis and inhibitor design against beta-lactamase. Biochemistry, 42, 2003

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