PDB: 17091 件ウェブページステータス検索Chemie searchBIRD

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8ABR	Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid 分子名称: Cytochrome P450, HEME B/C, HEXANOIC ACID, ... 著者 Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. 登録日 2022-07-04 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
7BFN	Apo form of Thermogutta terrifontis esterase 2 分子名称: Esterase, SULFATE ION 著者 Brazzolotto, X.B, Bzdrenga, J, Nachon, F. 登録日 2021-01-04 公開日 2021-02-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study. Molecules, 26, 2021
7BFU	Thermogutta terrifontis esterase 2 phosphonylated by sarin 分子名称: ETHANOL, Esterase 著者 Brazzolotto, X.B, Bzdrenga, J, Nachon, F. 登録日 2021-01-04 公開日 2021-02-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study. Molecules, 26, 2021
6BS6	SusG with mixed linkage amylosaccharide 分子名称: ACETATE ION, Alpha-amylase SusG, CALCIUM ION, ... 著者 Koropatkin, N.M, Cockburn, D.W. 登録日 2017-12-01 公開日 2018-01-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Structural basis for the flexible recognition of alpha-glucan substrates by Bacteroides thetaiotaomicron SusG. Protein Sci., 27, 2018
7BFT	Thermogutta terrifontis esterase 2 phosphoramylated by tabun 分子名称: Esterase, PHOSPHATE ION 著者 Brazzolotto, X.B, Bzdrenga, J, Nachon, F. 登録日 2021-01-04 公開日 2021-02-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study. Molecules, 26, 2021
7BFO	Thermogutta terrifontis esterase 2 phosphonylated by VX 分子名称: ETHANOL, Esterase 著者 Brazzolotto, X.B, Bzdrenga, J, Nachon, F. 登録日 2021-01-04 公開日 2021-02-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study. Molecules, 26, 2021
7BFR	Thermogutta terrifontis esterase 2 phosphorylated by paraoxon 分子名称: CARBONATE ION, Esterase 著者 Brazzolotto, X.B, Bzdrenga, J, Nachon, F. 登録日 2021-01-04 公開日 2021-02-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study. Molecules, 26, 2021
7BFV	Thermogutta terrifontis esterase 2 phosphonylated by cyclosarin 分子名称: Esterase, PHOSPHATE ION, SODIUM ION 著者 Brazzolotto, X.B, Bzdrenga, J, Nachon, F. 登録日 2021-01-04 公開日 2021-02-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study. Molecules, 26, 2021
2P88	Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein 著者 Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C. 登録日 2007-03-22 公開日 2007-07-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Prediction and assignment of function for a divergent N-succinyl amino acid racemase. Nat.Chem.Biol., 3, 2007
2Q0S	Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase 分子名称: Aryl esterase, SULFATE ION 著者 Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. 登録日 2007-05-22 公開日 2007-12-11 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions. Biochemistry, 46, 2007
2NXM	Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLN-THR-PHE*TYR-VAL-ASP-GLY-ALA 分子名称: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN 著者 Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A. 登録日 2006-11-17 公開日 2007-09-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease Proteins, 70, 2007
6CGC	Crystal structure of human 17beta-HSD type 1 in ternary complex with 2-MeO-CC-156 and NADP+ 分子名称: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Li, T, Lin, S.X. 登録日 2018-02-19 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide. J Phys Chem Lett, 9, 2018
2NXL	Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLU-VAL-PHE*TYR-VAL-ASP-GLY-ALA 分子名称: Analogue of RT-RH pol protease substrate peptide, PHOSPHATE ION, PROTEASE RETROPEPSIN 著者 Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A. 登録日 2006-11-17 公開日 2007-09-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease Proteins, 70, 2007
6MNC	CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH ESTRONE 分子名称: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, DI(HYDROXYETHYL)ETHER, Estradiol 17-beta-dehydrogenase 1 著者 Li, T, Stephen, P, Zhu, D.W, Lin, S.X. 登録日 2018-10-01 公開日 2019-04-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structures of human 17 beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NADP+reveal the mechanism of substrate inhibition. Febs J., 286, 2019
2Q0Q	Structure of the Native M. Smegmatis Aryl Esterase 分子名称: GLYCEROL, SULFATE ION, aryl esterase 著者 Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. 登録日 2007-05-22 公開日 2007-12-11 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions. Biochemistry, 46, 2007
6CGE	Crystal structure of human 17beta-HSD type 1 in ternary complex with PBRM and NADP+ 分子名称: 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Li, T, Lin, S.X. 登録日 2018-02-20 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide. J Phys Chem Lett, 9, 2018
4IO8	Crystal structure of human HSP70 complexed with 4-{(2R,3S,4R)-5-[(R)-6-Amino-8-(3,4-dichloro-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxymethyl}-benzonitrile 分子名称: 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Heat shock 70kDa protein 1A variant 著者 Musil, D, Scholz, S. 登録日 2013-01-07 公開日 2013-12-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Functional analysis of hsp70 inhibitors. Plos One, 8, 2013
2NXD	Structure of HIV-1 protease D25N complexed with rt-rh analogue peptide GLY-ALA-ASP-ILE-PHE*TYR-LEU-ASP-GLY-ALA 分子名称: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN 著者 Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A. 登録日 2006-11-17 公開日 2007-09-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease Proteins, 70, 2007
4HWP	Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor 分子名称: N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION 著者 Hilgers, M.T. 登録日 2012-11-08 公開日 2013-09-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.807 Å) 主引用文献 Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J.Med.Chem., 56, 2013
4J0S	Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand 分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-01-31 公開日 2013-02-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
4HWO	Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor 分子名称: N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION 著者 Hilgers, M.T. 登録日 2012-11-08 公開日 2013-09-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.907 Å) 主引用文献 Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J.Med.Chem., 56, 2013
4HWR	Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor 分子名称: N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION 著者 Hilgers, M.T. 登録日 2012-11-08 公開日 2013-09-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J.Med.Chem., 56, 2013
2P8B	Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Lys. 分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N-SUCCINYL LYSINE 著者 Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C. 登録日 2007-03-22 公開日 2007-07-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Prediction and assignment of function for a divergent N-succinyl amino acid racemase. Nat.Chem.Biol., 3, 2007
4J0R	Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand 分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ... 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-01-31 公開日 2013-02-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
1QYV	Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with NADP 分子名称: Estradiol 17 beta-dehydrogenase 1, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Shi, R, Lin, S.X. 登録日 2003-09-12 公開日 2004-08-03 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Cofactor hydrogen bonding onto the protein main chain is conserved in the short chain dehydrogenase/reductase family and contributes to nicotinamide orientation. J.Biol.Chem., 279, 2004

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