タイトル | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 60, Page 1262-1271, Year 2017 |
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掲載日 | 2014年8月22日 (構造データの登録日) |
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著者 | Thorsell, A.G. / Ekblad, T. / Karlberg, T. / Low, M. / Pinto, A.F. / Tresaugues, L. / Moche, M. / Cohen, M.S. / Schuler, H. |
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リンク | J. Med. Chem. / PubMed:28001384 |
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手法 | X線回折 |
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解像度 | 1.25 - 3.22 Å |
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構造データ | PDB-4r5w: Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939 手法: X-RAY DIFFRACTION / 解像度: 2.84 Å PDB-4r6e: Human artd1 (parp1) - catalytic domain in complex with inhibitor niraparib 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-4rv6: Human ARTD1 (PARP1) catalytic domain in complex with inhibitor Rucaparib 手法: X-RAY DIFFRACTION / 解像度: 3.19 Å PDB-4tvj: HUMAN ARTD2 (PARP2) - CATALYTIC DOMAIN IN COMPLEX WITH OLAPARIB 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-4und: HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-4uxb: Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor PJ34 手法: X-RAY DIFFRACTION / 解像度: 3.22 Å PDB-5lx6: Human PARP10 (ARTD10), catalytic fragment in complex with PARP inhibitor Veliparib 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å |
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化合物 | ChemComp-XAV: 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol / XAV-939
ChemComp-3JD: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide / ニラパリブ / 薬剤, 抗がん剤*YM
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
ChemComp-2YQ: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one / タラゾパリブ / 薬剤, 抗がん剤, 阻害剤*YM
ChemComp-P34: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE / PJ-34
ChemComp-78P: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium / ABT-888 / 抗がん剤, 阻害剤*YM
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / ADP-RIBOSYLATION / DNA REPAIR / ADP-RIBOSYL TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE / Poly(ADP-Ribose) transferase / Inhibitor / PROTEIN-INHIBITOR COMPLEX / NAD / ADP-RIBOSE / PARP1 / ARTD1 / ARTD TRANSFERASE DOMAIN / ADP- RIBOSYLATION / Transferase domain / PARP inhibitor |
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