| Structural highlights
3r1n is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Ligands: |
| | Related: | 3r2b, 3r2y, 3r30 |
| Gene: | MAPKAPK3 (Homo sapiens) |
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 |
| Resources: | FirstGlance, OCA, RCSB, PDBsum |
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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ 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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