7UP4

Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal)

7UP4 の概要

• エントリーDOI: 10.2210/pdb7up4/pdb
• 分子名称: Ribosomal protein S6 kinase alpha-5, (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine (3 entities in total)
• 機能のキーワード: msk1, c-terminal domain, protein kinase, transferase, phosphorylation
• 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: 69869.79

構造登録者

Yano, J.K.,Abendroth, J.,Hall, A. (登録日: 2022-04-14, 公開日: 2022-07-06, 最終更新日: 2024-04-03)

• 主引用文献: Hall, A.,Abendroth, J.,Bolejack, M.J.,Ceska, T.,Dell'Aiera, S.,Ellis, V.,Fox 3rd, D.,Francois, C.,Muruthi, M.M.,Prevel, C.,Poullennec, K.,Romanov, S.,Valade, A.,Vanbellinghen, A.,Yano, J.,Geraerts, M.; Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.; Acs Med.Chem.Lett., 13:1099-1108, 2022; PubMed: 35859861; DOI: 10.1021/acsmedchemlett.2c00134

実験手法

X-RAY DIFFRACTION (3 Å)