3SHE

Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series

Summary for 3SHE

• Entry DOI: 10.2210/pdb3she/pdb
• Descriptor: MAP kinase-activated protein kinase 3, N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide (3 entities in total)
• Functional Keywords: kinase domain with bound inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus: Q16644
• Total number of polymer chains: 1
• Total formula weight: 36898.06

Authors

Oubrie, A.,Kazemier, B. (deposition date: 2011-06-16, release date: 2011-12-14, Last modification date: 2024-02-28)

• Primary citation: Oubrie, A.,Kaptein, A.,de Zwart, E.,Hoogenboom, N.,Goorden, R.,van de Kar, B.,van Hoek, M.,de Kimpe, V.,van der Heijden, R.,Borsboom, J.,Kazemier, B.,de Roos, J.,Scheffers, M.,Lommerse, J.,Schultz-Fademrecht, C.,Barf, T.; Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series.; Bioorg.Med.Chem.Lett., 22:613-618, 2012; PubMed: 22119462; DOI: 10.1016/j.bmcl.2011.10.071

Experimental method

X-RAY DIFFRACTION (2.25 Å)