7UP5

Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal)

Summary for 7UP5

• Entry DOI: 10.2210/pdb7up5/pdb
• Descriptor: Ribosomal protein S6 kinase alpha-5, (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, ... (4 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: 70229.66

Authors

Yano, J.K.,Edwards, T.E.,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; PubMed: 35859861; DOI: 10.1021/acsmedchemlett.2c00134

Experimental method

X-RAY DIFFRACTION (2.8 Å)