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	Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
ジャーナル・号・ページ	Bioorg. Med. Chem., Vol. 23, Page 4139-, Year 2015
掲載日	2015年3月5日 (構造データの登録日)
著者	Nkizinkiko, Y. / Suneel Kumar, B.V.S. / Jeankumar, V.U. / Haikarainen, T. / Koivunen, J. / Madhuri, C. / Yogeeswari, P. / Venkannagari, H. / Obaji, E. / Pihlajaniemi, T. ...Nkizinkiko, Y. / Suneel Kumar, B.V.S. / Jeankumar, V.U. / Haikarainen, T. / Koivunen, J. / Madhuri, C. / Yogeeswari, P. / Venkannagari, H. / Obaji, E. / Pihlajaniemi, T. / Sriram, D. / Lehtio, L.
リンク	Bioorg. Med. Chem. / PubMed:26183543
手法	X線回折
解像度	1.75 - 2.07 Å
構造データ	PDB-5aku: Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2, 3,4-tetrahydroquinazolin-4-one 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-5akw: Crystal structure of TNKS2 in complex with 2-(4-chlorophenyl)-1,2,3,4- tetrahydroquinazolin-4-one 手法: X-RAY DIFFRACTION / 解像度: 2.07 Å PDB-5al1: Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1H, 2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5al2: Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5al3: Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5al4: Crystal structure of TNKS2 in complex with 2-(4-methylpiperazin-1-yl)- 3,4,5,6,7,8-hexahydroquinazolin-4-one 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5al5: Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å
化合物	ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-29F: 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one / 2-(4-tert-ブチルフェニル)キナゾリン-4(3H)-オン ChemComp-ZN: Unknown entry ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-HOH: WATER ChemComp-NKI: (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one / 2α-(4-クロロフェニル)-2,3-ジヒドロキナゾリン-4(1H)-オン ChemComp-GN5: 2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE ChemComp-O53: (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one ChemComp-TGW: (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one ChemComp-WLH: 2-(4-METHYLPIPERAZIN-1-YL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-4-ONE ChemComp-JL9: 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-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