タイトル | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. |
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ジャーナル・号・ページ | Chem Sci, Vol. 10, Page 3573-3585, Year 2019 |
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掲載日 | 2018年8月28日 (構造データの登録日) |
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著者 | Uhlenbrock, N. / Smith, S. / Weisner, J. / Landel, I. / Lindemann, M. / Le, T.A. / Hardick, J. / Gontla, R. / Scheinpflug, R. / Czodrowski, P. ...Uhlenbrock, N. / Smith, S. / Weisner, J. / Landel, I. / Lindemann, M. / Le, T.A. / Hardick, J. / Gontla, R. / Scheinpflug, R. / Czodrowski, P. / Janning, P. / Depta, L. / Quambusch, L. / Muller, M.P. / Engels, B. / Rauh, D. |
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リンク | Chem Sci / PubMed:30996949 |
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手法 | X線回折 |
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解像度 | 2.3 - 2.7 Å |
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構造データ | PDB-6hhg: Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6hhh: Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 31 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-6hhi: Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-6hhj: Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å |
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化合物 | ChemComp-G4T: ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide
ChemComp-G4Q: ~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide
ChemComp-G4N: ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
ChemComp-G4H: ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / Akt1 / covalent-allosteric |
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