3GI3

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

Summary for 3GI3

Entry DOI	10.2210/pdb3gi3/pdb
Descriptor	Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide (3 entities in total)
Functional Keywords	two lobe kinase structure, n-lobe beta-sheet, c-lobe alpha-helix, alternative splicing, atp-binding, cytoplasm, kinase, nucleotide-binding, nucleus, phosphoprotein, polymorphism, serine/threonine-protein kinase, transferase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm (By similarity): Q16539
Total number of polymer chains	1
Total formula weight	42092.07
Authors	Qian, K.C. (deposition date: 2009-03-05, release date: 2009-10-20, Last modification date: 2024-02-21)
Primary citation	Cirillo, P.F.,Hickey, E.R.,Moss, N.,Breitfelder, S.,Betageri, R.,Fadra, T.,Gaenzler, F.,Gilmore, T.,Goldberg, D.R.,Kamhi, V.,Kirrane, T.,Kroe, R.R.,Madwed, J.,Moriak, M.,Netherton, M.,Pargellis, C.A.,Patel, U.R.,Qian, K.C.,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., 19:2386-2391, 2009 Cited by PubMed: 19356929 DOI: 10.1016/j.bmcl.2009.03.104 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation