タイトル | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. |
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ジャーナル・号・ページ | Bioorg. Med. Chem., Vol. 52, Page 116511-116511, Year 2021 |
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掲載日 | 2021年5月20日 (構造データの登録日) |
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著者 | Maksimainen, M.M. / Murthy, S. / Sowa, S.T. / Galera-Prat, A. / Rolina, E. / Heiskanen, J.P. / Lehtio, L. |
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リンク | Bioorg. Med. Chem. / PubMed:34801828 |
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手法 | X線回折 |
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解像度 | 1.3 - 2.1 Å |
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構造データ | PDB-7olj: Tankyrase 2 in complex with an inhibitor (OUL219) 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7om1: Tankyrase 2 in complex with an inhibitor (OUL220) 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7omc: Tankyrase 2 in complex with an inhibitor (OUL228) 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7oqq: PARP15 catalytic domain in complex with TIQ-A 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-7osp: PARP15 catalytic domain in complex with OUL113 手法: X-RAY DIFFRACTION / 解像度: 1.44 Å PDB-7oss: PARP15 catalytic domain in complex with OUL194 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-7osx: PARP15 catalytic domain in complex with OUL205 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7otf: PARP15 catalytic domain in complex with OUL213 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-7oth: PARP15 catalytic domain in complex with OUL219 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7ouw: PARP15 catalytic domain in complex with OUL220 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7oux: PARP15 catalytic domain in complex with OUL228 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å |
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化合物 | ChemComp-VJN: 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
ChemComp-1OI: 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
ChemComp-0SI: 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
ChemComp-0UI: 8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
ChemComp-1H9: 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one
ChemComp-1O7: 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / Inhibitor / Complex / ADP-ribosylation / Enzyme / ADP-ribosyl-transferase / mono-ADP-ribosyl-transferase |
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