7MGK

TNNI3K complexed with 1-(3,5-dichloro-4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

7MGK の概要

• エントリーDOI: 10.2210/pdb7mgk/pdb
• 分子名称: Serine/threonine-protein kinase TNNI3K, N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea (3 entities in total)
• 機能のキーワード: cark, kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 141442.44

構造登録者

Shewchuk, L.M. (登録日: 2021-04-12, 公開日: 2021-11-10, 最終更新日: 2024-04-03)

• 主引用文献: Patterson, J.R.,Graves, A.P.,Stoy, P.,Cheung, M.,Desai, T.A.,Fries, H.,Gatto Jr., G.J.,Holt, D.A.,Shewchuk, L.,Totoritis, R.,Wang, L.,Kallander, L.S.; Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf.; J.Med.Chem., 64:15651-15670, 2021; PubMed: 34699203; DOI: 10.1021/acs.jmedchem.1c00700

実験手法

X-RAY DIFFRACTION (3.1 Å)