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	Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
ジャーナル・号・ページ	Bioorg. Med. Chem., Vol. 23, Page 5891-, Year 2015
掲載日	2014年8月7日 (構造データの登録日)
著者	Paine, H.A. / Nathubhai, A. / Woon, E.C.Y. / Sunderland, P.T. / Wood, P.J. / Mahon, M.F. / Lloyd, M.D. / Thompson, A.S. / Haikarainen, T. / Narwal, M. ...Paine, H.A. / Nathubhai, A. / Woon, E.C.Y. / Sunderland, P.T. / Wood, P.J. / Mahon, M.F. / Lloyd, M.D. / Thompson, A.S. / Haikarainen, T. / Narwal, M. / Lehtio, L. / Threadgill, M.D.
リンク	Bioorg. Med. Chem. / PubMed:26189030
手法	X線回折
解像度	1.6 - 2.2 Å
構造データ	PDB-4uvl: Crystal structure of human tankyrase 2 in complex with 5-amino-1,2- dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-4uvn: Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- chlorophenyl)-1,2-dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-4uvo: Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- methoxyphenyl)-1,2-dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4uvp: Crystal structure of human tankyrase 2 in complex with 5-amino-3- ethyl-1,2-dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-4uvs: Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-4uvt: Crystal structure of human tankyrase 2 in complex with 5-amino-4- methyl-1,2-dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4uvu: Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4uvv: Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4uvw: Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3- phenyl-1,2-dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-4uvx: Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4uvy: Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4uvz: Crystal structure of human tankyrase 2 in complex with 5-amino-3- phenyl-1,2-dihydroisoquinolin-1-one 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-32X: 5-aminoisoquinolin-1(4H)-one ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-HOH: WATER ChemComp-CDJ: 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-5WW: 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one ChemComp-NGJ: 5-amino-3-ethylisoquinolin-1(2H)-one ChemComp-R4E: 5-amino-3-pentylisoquinolin-1(2H)-one ChemComp-G1O: 5-amino-4-methylisoquinolin-1(2H)-one / 4-メチル-5-アミノ-1,2-ジヒドロイソキノリン-1-オン ChemComp-U1T: 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one ChemComp-W8L: 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one ChemComp-NYJ: 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one ChemComp-H2W: 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one ChemComp-SGW: 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one ChemComp-5NN: 5-AMINO-3-PHENYL-1,2-DIHYDROISOQUINOLIN-1-ONE
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE / PROTEIN-LIGAND COMPLEX / DIPHTHERIA TOXIN LIKE FOLD / ADP- RIBOSYLATION / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / ADP-RIBOSYLATION