EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
ジャーナル・号・ページ	Eur J Med Chem, Vol. 155, Page 61-76, Year 2018
掲載日	2017年5月25日 (構造データの登録日)
著者	Braun, F. / Bertoletti, N. / Moller, G. / Adamski, J. / Frotscher, M. / Guragossian, N. / Madeira Girio, P.A. / Le Borgne, M. / Ettouati, L. / Falson, P. ...Braun, F. / Bertoletti, N. / Moller, G. / Adamski, J. / Frotscher, M. / Guragossian, N. / Madeira Girio, P.A. / Le Borgne, M. / Ettouati, L. / Falson, P. / Muller, S. / Vollmer, G. / Heine, A. / Klebe, G. / Marchais-Oberwinkler, S.
リンク	Eur J Med Chem / PubMed:29859505
手法	X線回折
解像度	1.35 - 1.91 Å
構造データ	PDB-5o42: 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-5o43: 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5o6o: 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-5o6x: 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.35 Å PDB-5o6z: 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-5o72: 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å PDB-5o7c: 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å
化合物	ChemComp-NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NADYM ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-BGC: beta-D-glucopyranose / β-D-グルコピラノ-ス ChemComp-9JW: 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol ChemComp-HOH: WATER ChemComp-9JQ: 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol ChemComp-9MB: 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol ChemComp-9MK: (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone ChemComp-9ME: (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone ChemComp-9MH: 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide ChemComp-9N2*: 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile
由来	homo sapiens (ヒト)
キーワード	OXIDOREDUCTASE / non-steroidal inhibitor / 17beta-HSD14 / 2 / 6-pyridinketone inhibitors / quinoline based inhibitors