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

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3GVB	AmpC beta-lactamase in complex with Fragment-based Inhibitor 分子名称: (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... 著者 Teotico, D.T, Shoichet, B.K. 登録日 2009-03-30 公開日 2009-04-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
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
4WBG	Crystal structure of class C beta-lactamase Mox-1 covalently complexed with aztorenam 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, ACETATE ION, Beta-lactamase, ... 著者 Oguri, T, Shimizu-ibuka, A, Ishii, Y. 登録日 2014-09-03 公開日 2015-07-01 最終更新日 2020-01-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Conformational Change Observed in the Active Site of Class C beta-Lactamase MOX-1 upon Binding to Aztreonam Antimicrob.Agents Chemother., 59, 2015
5W14	ADC-7 in complex with boronic acid transition state inhibitor S03043 分子名称: 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid, Beta-lactamase 著者 Smolen, K.A, Powers, R.A, Wallar, B.J. 登録日 2017-06-01 公開日 2017-11-29 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors. ACS Infect Dis, 4, 2018
7MQN	Crystal structure of class C beta lactamase from Rhodobacter sphaeroides 分子名称: Beta-lactamase, PHOSPHATE ION 著者 Chang, C, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2021-05-05 公開日 2021-05-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Crystal structure of class C beta lactamase from Rhodobacter sphaeroides To Be Published
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
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
7MDC	Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid 分子名称: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... 著者 Velilla, J.A, Volpe, M.R, Gaudet, R. 登録日 2021-04-03 公開日 2022-09-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 A small molecule inhibitor prevents gut bacterial genotoxin production. Nat.Chem.Biol., 19, 2023
7MDE	Full-length S95A ClbP 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... 著者 Velilla, J.A, Volpe, M.R, Gaudet, R. 登録日 2021-04-04 公開日 2022-09-28 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
7MDF	Full-length S95A ClbP bound to N-acyl-D-asparagine analog 分子名称: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... 著者 Velilla, J.A, Volpe, M.R, Gaudet, R. 登録日 2021-04-04 公開日 2022-09-28 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
4U0T	Crystal structure of ADC-7 beta-lactamase 分子名称: ADC-7 beta-lactamase, PHOSPHATE ION 著者 Powers, R.A, Wallar, B.J. 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 (1.73 Å) 主引用文献 Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii. Biochemistry, 53, 2014
4OLG	Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid 分子名称: (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Shoichet, B.K, Barelier, S. 登録日 2014-01-23 公開日 2014-05-28 最終更新日 2014-06-18 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Substrate deconstruction and the nonadditivity of enzyme recognition. J.Am.Chem.Soc., 136, 2014
6DPX	X-ray crystal structure of AmpC beta-lactamase with inhibitor 分子名称: (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase 著者 Singh, I. 登録日 2018-06-09 公開日 2018-07-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
4OKP	Crystal structure of AmpC beta-lactamase in complex with the product form of 7-amino-desacetoxycephalosporanic acid 分子名称: (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Barelier, S.B, Shoichet, B.K. 登録日 2014-01-22 公開日 2014-05-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Substrate deconstruction and the nonadditivity of enzyme recognition. J.Am.Chem.Soc., 136, 2014
6DPZ	X-ray crystal structure of AmpC beta-lactamase with inhibitor 分子名称: (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid, Beta-lactamase 著者 Singh, I. 登録日 2018-06-09 公開日 2018-07-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
6DPT	X-ray crystal structure of AmpC beta-lactamase with nanomolar inhibitor 分子名称: 3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide, Beta-lactamase 著者 Singh, I. 登録日 2018-06-09 公開日 2018-07-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
6DPY	X-ray crystal structure of AmpC beta-lactamase with inhibitor 分子名称: 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase 著者 Singh, I. 登録日 2018-06-09 公開日 2018-07-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
8TTP	Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... 著者 Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) 登録日 2023-08-14 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam to be published
5LWF	Structure of a single domain camelid antibody fragment cAb-G10S in complex with the BlaP beta-lactamase from Bacillus licheniformis 分子名称: ACETATE ION, Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-G10S 著者 Vettore, N, Kerff, F, Pain, C, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. 登録日 2016-09-16 公開日 2017-11-15 最終更新日 2019-10-16 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments To Be Published
6FM7	Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... 著者 Pozzi, C, De Luca, F, Benvenuti, M, Di Pisa, F, Docquier, J.D, Mangani, S. 登録日 2018-01-30 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam. ChemMedChem, 13, 2018
6G9T	CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE 分子名称: Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ... 著者 Zavala, A, Retailleau, P, Naas, T, Iorga, B. 登録日 2018-04-11 公開日 2019-02-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant. Acs Infect Dis., 5, 2019
6FM6	Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes 分子名称: Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL 著者 Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S. 登録日 2018-01-30 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam. ChemMedChem, 13, 2018
9C6P	X-ray crystal structure of AmpC beta-lactamase with inhibitor 分子名称: 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase 著者 Liu, F, Shoichet, B.K. 登録日 2024-06-08 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.663 Å) 主引用文献 Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published

 

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