タイトル | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. |
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ジャーナル・号・ページ | Bioorg. Med. Chem., Vol. 25, Page 1481-1486, Year 2017 |
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掲載日 | 2016年8月8日 (構造データの登録日) |
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著者 | Miller, M.S. / Maheshwari, S. / McRobb, F.M. / Kinzler, K.W. / Amzel, L.M. / Vogelstein, B. / Gabelli, S.B. |
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リンク | Bioorg. Med. Chem. / PubMed:28129991 |
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手法 | X線回折 |
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解像度 | 3.11 - 3.55 Å |
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構造データ | PDB-5sw8: Crystal structure of PI3Kalpha in complex with fragments 7 and 11 手法: X-RAY DIFFRACTION / 解像度: 3.3 Å PDB-5swg: Crystal Structure of PI3Kalpha in complex with fragments 5 and 21 手法: X-RAY DIFFRACTION / 解像度: 3.11 Å PDB-5swo: Crystal Structure of PI3Kalpha in complex with fragments 4 and 19 手法: X-RAY DIFFRACTION / 解像度: 3.5 Å PDB-5swp: Crystal Structure of PI3Kalpha in complex with fragments 6 and 24 手法: X-RAY DIFFRACTION / 解像度: 3.41 Å PDB-5swr: Crystal Structure of PI3Kalpha in complex with fragments 20 and 26 手法: X-RAY DIFFRACTION / 解像度: 3.31 Å PDB-5swt: Crystal Structure of PI3Kalpha in complex with fragments 17 and 27 手法: X-RAY DIFFRACTION / 解像度: 3.49 Å PDB-5sx8: Crystal Structure of PI3Kalpha in complex with fragments 12 and 15 手法: X-RAY DIFFRACTION / 解像度: 3.47 Å PDB-5sx9: Crystal Structure of PI3Kalpha in complex with fragment 14 手法: X-RAY DIFFRACTION / 解像度: 3.52 Å PDB-5sxa: Crystal Structure of PI3Kalpha in complex with fragment 10 手法: X-RAY DIFFRACTION / 解像度: 3.35 Å PDB-5sxb: Crystal Structure of PI3Kalpha in complex with fragment 23 手法: X-RAY DIFFRACTION / 解像度: 3.3 Å PDB-5sxc: Crystal Structure of PI3Kalpha in complex with fragment 8 手法: X-RAY DIFFRACTION / 解像度: 3.55 Å PDB-5sxd: Crystal Structure of PI3Kalpha in complex with fragment 22 手法: X-RAY DIFFRACTION / 解像度: 3.5 Å PDB-5sxe: Crystal Structure of PI3Kalpha in complex with fragments 19 and 28 手法: X-RAY DIFFRACTION / 解像度: 3.51 Å PDB-5sxf: Crystal Structure of PI3Kalpha in complex with fragment 9 手法: X-RAY DIFFRACTION / 解像度: 3.46 Å PDB-5sxi: Crystal Structure of PI3Kalpha in complex with fragment 13 手法: X-RAY DIFFRACTION / 解像度: 3.4 Å PDB-5sxj: Crystal Structure of PI3Kalpha in complex with fragment 29 手法: X-RAY DIFFRACTION / 解像度: 3.42 Å PDB-5sxk: Crystal Structure of PI3Kalpha in complex with fragment 18 手法: X-RAY DIFFRACTION / 解像度: 3.55 Å |
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化合物 | ChemComp-EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES / pH緩衝剤*YM
ChemComp-71N: 2-(trifluoromethyl)-1H-benzimidazol-5-amine
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / lipid kinase / phosphoinositide / 3-kinase / signaling / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE |
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