7UP4

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

Summary for 7UP4

Entry DOI	10.2210/pdb7up4/pdb
Descriptor	Ribosomal protein S6 kinase alpha-5, (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine (3 entities in total)
Functional Keywords	msk1, c-terminal domain, protein kinase, transferase, phosphorylation
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	69869.79
Authors	Yano, J.K.,Abendroth, J.,Hall, A. (deposition date: 2022-04-14, release date: 2022-07-06, Last modification date: 2024-04-03)
Primary citation	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 Cited by PubMed: 35859861 DOI: 10.1021/acsmedchemlett.2c00134 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3 Å)

Structure validation