タイトル | Natural-product-derived fragments for fragment-based ligand discovery. |
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ジャーナル・号・ページ | Nat Chem, Vol. 5, Page 21-28, Year 2012 |
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掲載日 | 2012年4月2日 (構造データの登録日) |
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著者 | Over, B. / Wetzel, S. / Grutter, C. / Nakai, Y. / Renner, S. / Rauh, D. / Waldmann, H. |
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リンク | Nat Chem / PubMed:23247173 |
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手法 | X線回折 |
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解像度 | 1.6 - 2.5 Å |
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構造データ | PDB-4eh2: Human p38 MAP kinase in complex with NP-F1 and RL87 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4eh3: Human p38 MAP kinase in complex with NP-F2 and RL87 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-4eh4: Human p38 MAP kinase in complex with NP-F3 and RL87 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-4eh5: Human p38 MAP kinase in complex with NP-F4 and RL87 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4eh6: Human p38 MAP kinase in complex with NP-F5 and RL87 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-4eh7: Human p38 MAP kinase in complex with NP-F6 and RL87 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-4eh8: Human p38 MAP kinase in complex with NP-F7 and RL87 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-4eh9: Human p38 MAP kinase in complex with NP-F11 and RL87 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-4ehv: Human p38 MAP kinase in complex with NP-F10 and RL87 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å |
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化合物 | ChemComp-IRG: N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
ChemComp-0OQ: (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
ChemComp-0SJ: (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
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由来 | - homo sapiens (ヒト)
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キーワード | Transferase/Transferase inhibitor / MAP Kinase Insert / Kinase-Ligand Complex / NP-Fragment / Transferase-Transferase inhibitor complex / allosteric pocket |
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