3gi3

Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinaseCrystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase

Structural highlights

3gi3 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:
Gene:	MAPK14, CSBP, CSBP1, CSBP2, CSPB1, MXI2 (Homo sapiens)
Activity:	Mitogen-activated protein kinase, with EC number 2.7.11.24
Resources:	FirstGlance, OCA, RCSB, PDBsum

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

An effort aimed at exploring structural diversity in the N-pyrazole-N'-naphthylurea class of p38 kinase inhibitors led to the synthesis and characterization of N-phenyl-N'-naphthylureas. Examples of these compounds displayed excellent inhibition of TNF-alpha production in vitro, as well as efficacy in a mouse model of lipopolysaccharide induced endotoxemia. In addition, perspective is provided on the role of a sulfonamide functionality in defining inhibitor potency.

Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors.,Cirillo PF, Hickey ER, Moss N, Breitfelder S, Betageri R, Fadra T, Gaenzler F, Gilmore T, Goldberg DR, Kamhi V, Kirrane T, Kroe RR, Madwed J, Moriak M, Netherton M, Pargellis CA, Patel UR, Qian KC, Sharma R, Sun S, Swinamer A, Torcellini C, Takahashi H, Tsang M, Xiong Z Bioorg Med Chem Lett. 2009 May 1;19(9):2386-91. Epub 2009 Mar 26. PMID:19356929^[1]

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

References

↑ Cirillo PF, Hickey ER, Moss N, Breitfelder S, Betageri R, Fadra T, Gaenzler F, Gilmore T, Goldberg DR, Kamhi V, Kirrane T, Kroe RR, Madwed J, Moriak M, Netherton M, Pargellis CA, Patel UR, Qian KC, Sharma R, Sun S, Swinamer A, Torcellini C, Takahashi H, Tsang M, Xiong Z. Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors. Bioorg Med Chem Lett. 2009 May 1;19(9):2386-91. Epub 2009 Mar 26. PMID:19356929 doi:10.1016/j.bmcl.2009.03.104

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OCA

[1] Cirillo PF, Hickey ER, Moss N, Breitfelder S, Betageri R, Fadra T, Gaenzler F, Gilmore T, Goldberg DR, Kamhi V, Kirrane T, Kroe RR, Madwed J, Moriak M, Netherton M, Pargellis CA, Patel UR, Qian KC, Sharma R, Sun S, Swinamer A, Torcellini C, Takahashi H, Tsang M, Xiong Z. Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors. Bioorg Med Chem Lett. 2009 May 1;19(9):2386-91. Epub 2009 Mar 26. PMID:19356929 doi:10.1016/j.bmcl.2009.03.104

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