3R30

MK2 kinase bound to Compound 2

Summary for 3R30

• Entry DOI: 10.2210/pdb3r30/pdb
• Related: 3R1N 3R2B 3R2Y
• Descriptor: MAP kinase-activated protein kinase 2, 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid (2 entities in total)
• Functional Keywords: kinase domain with bound inhibitor, kinase domain, phosphotransferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 37252.04

Authors

Oubrie, A.,Fisher, M. (deposition date: 2011-03-15, release date: 2011-05-25, Last modification date: 2024-02-21)

Primary citation

Barf, T.,Kaptein, A.,Wilde, S.,Heijden, R.,Someren, R.,Demont, D.,Schultz-Fademrecht, C.,Versteegh, J.,Zeeland, M.,Seegers, N.,Kazemier, B.,Kar, B.,Hoek, M.,Roos, J.,Klop, H.,Smeets, R.,Hofstra, C.,Hornberg, J.,Oubrie, A.
Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21:3818-3822, 2011

PubMed Abstract: MK2 kinase is a promising drug discovery target for the treatment of inflammatory diseases. Here, we describe the discovery of novel MK2 inhibitors using X-ray crystallography and structure-based drug design. The lead has in vivo efficacy in a short-term preclinical model.

PubMed: 21565500
DOI: 10.1016/j.bmcl.2011.04.018

Experimental method

X-RAY DIFFRACTION (3.2 Å)