タイトル | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. |
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ジャーナル・号・ページ | Acta Crystallogr. ,Sect. D, Vol. 70, Page 2740-2753, Year 2014 |
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掲載日 | 2014年5月22日 (構造データの登録日) |
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著者 | Qiu, W. / Lam, R. / Voytyuk, O. / Romanov, V. / Gordon, R. / Gebremeskel, S. / Vodsedalek, J. / Thompson, C. / Beletskaya, I. / Battaile, K.P. ...Qiu, W. / Lam, R. / Voytyuk, O. / Romanov, V. / Gordon, R. / Gebremeskel, S. / Vodsedalek, J. / Thompson, C. / Beletskaya, I. / Battaile, K.P. / Pai, E.F. / Rottapel, R. / Chirgadze, N.Y. |
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リンク | Acta Crystallogr. ,Sect. D / PubMed:25286857 |
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手法 | X線回折 |
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解像度 | 1.5 - 2.6 Å |
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構造データ | PDB-4pml: Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide. 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-4pnl: Crystal structure of TNKS-2 in complex with DR2313. 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-4pnm: Crystal Structure of human Tankyrase 2 in complex with Nu1025. 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-4pnn: Crystal Structure of human Tankyrase 2 in complex with 4HQN. 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-4pnq: Crystal Structure of human Tankyrase 2 in complex with 5AIQ. 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4pnr: Crystal Structure of human Tankyrase 2 in complex with TIQ-A. 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-4pns: Crystal Structure of human Tankyrase 2 in complex with INH2BP. 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-4pnt: Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD. 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-4tju: Crystal Structure of human Tankyrase 2 in complex with 3,4-CPQ-5-C. 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-4tjw: Crystal Structure of human Tankyrase 2 in complex with PJ-34. 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-4tjy: Crystal Structure of human Tankyrase 2 in complex with ABT-888. 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4tk0: Crystal Structure of human Tankyrase 2 in complex with DPQ. 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-4tk5: Crystal Structure of human Tankyrase 2 in complex with EB47. 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å PDB-4tkf: Crystal Structure of human Tankyrase 2 in complex with IWR-1. 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-4tkg: Crystal Structure of human Tankyrase 2 in complex with AZD2281. 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4tki: Crystal Structure of human Tankyrase 2 in complex with BSI-201. 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å |
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化合物 | ChemComp-CNQ: 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE
ChemComp-P34: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE / PJ-34
ChemComp-3GN: 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide
ChemComp-32Z: 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one / DPQ
ChemComp-UHB: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide
ChemComp-33C: 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide
ChemComp-09L: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one / オラパリブ / 薬剤, 阻害剤*YM
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / PARP-inhibitor / PARP / poly(ADP-ribosylation) polymerase (PARP) |
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