PDB: 974 件ウェブページステータス検索Chemie searchBIRD

---

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
3M2J	Crystal Structure of fluorescein-labeled Class A -lactamase PenP 分子名称: 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Beta-lactamase, SULFATE ION 著者 Zhao, Y.X, Leung, Y.C, Wong, W.T. 登録日 2010-03-07 公開日 2011-03-16 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of fluorescein-labeled Class A -lactamase PenP To be Published
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
3O87	Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor 分子名称: 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION 著者 Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. 登録日 2010-08-02 公開日 2010-11-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors J.Med.Chem., 53, 2010
4LV0	AmpC beta-lactamase in complex with m-aminophenyl boronic acid 分子名称: Beta-lactamase, M-AMINOPHENYLBORONIC ACID, 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 (1.652 Å) 主引用文献 Covalent docking of large libraries for the discovery of chemical probes. Nat.Chem.Biol., 10, 2014
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
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
4LCM	Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014) 分子名称: 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 (3.19 Å) 主引用文献 The role of distant mutations and allosteric regulation on LovD active site dynamics. Nat.Chem.Biol., 10, 2014
3M2K	Crystal Structure of fluorescein-labeled Class A -beta lactamase PenP in complex with cefotaxime 分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ... 著者 Zhao, Y.X, Leung, Y.C, Wong, W.T. 登録日 2010-03-07 公開日 2011-03-16 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Structural studies of the mechanism for biosensing antibiotics in a fluorescein-labeled beta-lactamase. BMC Struct. Biol., 11, 2011
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
4LV1	AmpC beta-lactamase in complex with [1-(3-chlorophenyl)-1H-pyrazol-4-yl] boronic acid 分子名称: Beta-lactamase, PHOSPHATE ION, [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid 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 (1.74 Å) 主引用文献 Covalent docking of large libraries for the discovery of chemical probes. Nat.Chem.Biol., 10, 2014
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
3O86	Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, {[(benzylsulfonyl)amino]methyl}boronic acid 著者 Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. 登録日 2010-08-02 公開日 2010-11-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors J.Med.Chem., 53, 2010
3O88	Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor 分子名称: 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION 著者 Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. 登録日 2010-08-02 公開日 2010-11-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors J.Med.Chem., 53, 2010
4LV2	AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid 分子名称: Beta-lactamase, PHOSPHATE ION, [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid 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 (1.65 Å) 主引用文献 Covalent docking of large libraries for the discovery of chemical probes. Nat.Chem.Biol., 10, 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
4KZA	Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) 分子名称: 3-(cyclopropylsulfamoyl)thiophene-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 (1.6 Å) 主引用文献 Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
4KZ9	Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) 分子名称: (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, 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 (1.72 Å) 主引用文献 Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
4KEN	Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefoxitin 分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. 登録日 2013-04-25 公開日 2014-10-29 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Complexed structures of AmpC beta-lactamase To be Published
4KG5	Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime 分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ... 著者 Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. 登録日 2013-04-28 公開日 2014-10-29 最終更新日 2018-09-19 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Complexed structures of AmpC beta-lactamase To be Published
3LY3	Crystal Structure of fluorophore-labeled Class A Beta-lactamase PenP 分子名称: Beta-lactamase 著者 Zhao, Y.X, Leung, Y.C, Wong, W.T. 登録日 2010-02-26 公開日 2011-03-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of fluorophore-labeled Class A Beta-lactamase PenP To be Published
3LY4	Crystal Structure of fluorophore-labeled Class A -lactamase PenP-E166Cb in complex with penicillin G 分子名称: Beta-lactamase, OPEN FORM - PENICILLIN G 著者 Zhao, Y.X, Leung, Y.C, Wong, W.T. 登録日 2010-02-26 公開日 2011-03-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of fluorophore-labeled Class A -lactamase PenP-E166Cb in complex with penicillin G To be Published
4KG2	Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime 分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ... 著者 Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. 登録日 2013-04-28 公開日 2014-10-29 最終更新日 2018-09-19 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Complexed structures of AmpC beta-lactamase To be Published
4KZ6	Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid) 分子名称: (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-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 (1.68 Å) 主引用文献 Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
4KZ7	Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid) 分子名称: (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-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 (1.43 Å) 主引用文献 Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014

<78910111213141516171819202122>