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3r2b

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3r2b, resolution 2.90Å ()
Sites: and
Ligands:
Gene: MAPKAPK2 (Homo sapiens)
Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Related: 3r1n, 3r2y, 3r30


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



MK2 kinase bound to Compound 5b

Publication Abstract from PubMed

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.

Structure-based lead identification of ATP-competitive MK2 inhibitors., Barf T, Kaptein A, Wilde SD, Heijden RV, Someren RV, Demont D, Schultz-Fademrecht C, Versteegh J, Zeeland MV, Seegers N, Kazemier B, Kar BV, Hoek MV, Roos JD, Klop H, Smeets R, Hofstra C, Hornberg J, Oubrie A, Bioorg Med Chem Lett. 2011 Apr 16. PMID:21565500

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

3r2b is a 12 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

  • Barf T, Kaptein A, Wilde SD, Heijden RV, Someren RV, Demont D, Schultz-Fademrecht C, Versteegh J, Zeeland MV, Seegers N, Kazemier B, Kar BV, Hoek MV, Roos JD, Klop H, Smeets R, Hofstra C, Hornberg J, Oubrie A. Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg Med Chem Lett. 2011 Apr 16. PMID:21565500 doi:10.1016/j.bmcl.2011.04.018

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