タイトル | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. |
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ジャーナル・号・ページ | Nat Commun, Vol. 8, Page 14683-14683, Year 2017 |
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掲載日 | 2016年4月20日 (構造データの登録日) |
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著者 | Bohnacker, T. / Prota, A.E. / Beaufils, F. / Burke, J.E. / Melone, A. / Inglis, A.J. / Rageot, D. / Sele, A.M. / Cmiljanovic, V. / Cmiljanovic, N. ...Bohnacker, T. / Prota, A.E. / Beaufils, F. / Burke, J.E. / Melone, A. / Inglis, A.J. / Rageot, D. / Sele, A.M. / Cmiljanovic, V. / Cmiljanovic, N. / Bargsten, K. / Aher, A. / Akhmanova, A. / Diaz, J.F. / Fabbro, D. / Zvelebil, M. / Williams, R.L. / Steinmetz, M.O. / Wymann, M.P. |
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リンク | Nat Commun / PubMed:28276440 |
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手法 | X線回折 |
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解像度 | 2.046 - 2.51 Å |
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構造データ | PDB-5jha: Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2 手法: X-RAY DIFFRACTION / 解像度: 2.51 Å PDB-5jhb: Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin3 手法: X-RAY DIFFRACTION / 解像度: 2.48 Å PDB-5m7e: Tubulin-BKM120 complex 手法: X-RAY DIFFRACTION / 解像度: 2.046 Å PDB-5m7g: Tubulin-MTD147 complex 手法: X-RAY DIFFRACTION / 解像度: 2.248 Å PDB-5m8d: Tubulin MTD265-R1 complex 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-5m8g: Tubulin-MTD265 complex 手法: X-RAY DIFFRACTION / 解像度: 2.147 Å |
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化合物 | ChemComp-6K7: [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
ChemComp-6K5: [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
ChemComp-GTP: GUANOSINE-5'-TRIPHOSPHATE / GTP / GTP, エネルギー貯蔵分子*YM / グアノシン三リン酸
ChemComp-GDP: GUANOSINE-5'-DIPHOSPHATE / GDP / GDP, エネルギー貯蔵分子*YM / グアノシン二リン酸
ChemComp-SD5: 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine / ブパルリシブ
ChemComp-FB7: 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
ChemComp-UGI: 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
ChemComp-918: 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
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由来 | ![](img/tx_human.gif) homo sapiens (ヒト)![](img/tx_mammal.gif) ![](data/taxo/icon/Rattus_norvegicus_S.png) rattus norvegicus (ドブネズミ)![](img/tx_bird.gif) ![](data/taxo/icon/Gallus_gallus_S.png) gallus gallus (ニワトリ)![](img/tx_mammal.gif) ![](data/taxo/icon/Bos_taurus_S.png) bos taurus (ウシ)
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キーワード | TRANSFERASE (転移酵素) / Inhibitor / Lipid kinase (キナーゼ) / PI3K (PI3キナーゼ) / CELL CYCLE (細胞周期) / TUBULIN FOLD / CYTOSKELETON (細胞骨格) / MICROTUBULE (微小管) |
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