タイトル | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor |
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ジャーナル・号・ページ | To Be Published |
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掲載日 | 2016年7月5日 (構造データの登録日) |
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著者 | Cao, R. / Wang, Y.L. / Zhou, J. / Yao, H.P. / Huang, N. / Xu, B.L. |
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リンク | PubMedで検索 |
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手法 | X線回折 |
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解像度 | 2.2 - 2.65 Å |
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構造データ | PDB-5kpn: Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5kpo: Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-5kpp: Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.33 Å PDB-5kpq: Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-5wrq: Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-5wry: Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5wtc: Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å |
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化合物 | ChemComp-6WX: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
ChemComp-6WY: 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione
ChemComp-6WZ: 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
ChemComp-6X2: 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
ChemComp-7TX: 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide
ChemComp-4YR: N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]-2-fluorobenzamide
ChemComp-7UL: 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / Inhibitor / Complex / TRANSFERASE-TRANSFERASE INHIBITOR complex |
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