8T5M
SOS2 crystal structure with fragment bound (compound 14)
8T5M の概要
エントリーDOI | 10.2210/pdb8t5m/pdb |
分子名称 | Son of sevenless homolog 2, 1,2-ETHANEDIOL, SULFATE ION, ... (5 entities in total) |
機能のキーワード | signaling protein |
由来する生物種 | Homo sapiens (human) |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 58166.42 |
構造登録者 | Gunn, R.J.,Lawson, J.D.,Ivetac, A.,Ulaganathan, T.,Coulombe, R.,Fethiere, J. (登録日: 2023-06-14, 公開日: 2024-01-10, 最終更新日: 2024-01-24) |
主引用文献 | Smith, C.R.,Chen, D.,Christensen, J.G.,Coulombe, R.,Fethiere, J.,Gunn, R.J.,Hollander, J.,Jones, B.,Ketcham, J.M.,Khare, S.,Kuehler, J.,Lawson, J.D.,Marx, M.A.,Olson, P.,Pearson, K.E.,Ren, C.,Tsagris, D.,Ulaganathan, T.,Van't Veer, I.,Wang, X.,Ivetac, A. Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67:774-781, 2024 Cited by PubMed Abstract: SOS1 and SOS2 are guanine nucleotide exchange factors that mediate RTK-stimulated RAS activation. Selective SOS1:KRAS PPI inhibitors are currently under clinical investigation, whereas there are no reports to date of SOS2:KRAS PPI inhibitors. SOS2 activity is implicated in MAPK rebound when divergent SOS1 mutant cell lines are treated with the SOS1 inhibitor BI-3406; therefore, SOS2:KRAS inhibitors are of therapeutic interest. In this report, we detail a fragment-based screening strategy to identify X-ray cocrystal structures of five diverse fragment hits bound to SOS2. PubMed: 38156904DOI: 10.1021/acs.jmedchem.3c02140 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.79 Å) |
構造検証レポート
検証レポート(詳細版)をダウンロード