7UP7
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak)
Summary for 7UP7
| Entry DOI | 10.2210/pdb7up7/pdb |
| Descriptor | Ribosomal protein S6 kinase alpha-5, (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide (3 entities in total) |
| Functional Keywords | protein kinase, transferase, phosphorylation, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 2 |
| Total formula weight | 70242.62 |
| Authors | Yano, J.K.,Abendroth, J.,Hall, A. (deposition date: 2022-04-14, release date: 2022-07-20, 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: 35859861DOI: 10.1021/acsmedchemlett.2c00134 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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