7UKR

Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction

7UKR の概要

• エントリーDOI: 10.2210/pdb7ukr/pdb
• 分子名称: Son of sevenless homolog 1, 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile (3 entities in total)
• 機能のキーワード: sos1, kras, ras, protein-protein interaction, signaling protein, signaling protein-inhibitor complex, signaling protein/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 114983.50

構造登録者

Gunn, R.J.,Lawson, J.D.,Ketcham, J.M.,Marx, M.A. (登録日: 2022-04-01, 公開日: 2022-07-27, 最終更新日: 2023-10-18)

• 主引用文献: Ketcham, J.M.,Haling, J.,Khare, S.,Bowcut, V.,Briere, D.M.,Burns, A.C.,Gunn, R.J.,Ivetac, A.,Kuehler, J.,Kulyk, S.,Laguer, J.,Lawson, J.D.,Moya, K.,Nguyen, N.,Rahbaek, L.,Saechao, B.,Smith, C.R.,Sudhakar, N.,Thomas, N.C.,Vegar, L.,Vanderpool, D.,Wang, X.,Yan, L.,Olson, P.,Christensen, J.G.,Marx, M.A.; Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.; J.Med.Chem., 65:9678-9690, 2022; PubMed: 35833726; DOI: 10.1021/acs.jmedchem.2c00741

実験手法

X-RAY DIFFRACTION (2.5 Å)