2GTN

Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717

Summary for 2GTN

Entry DOI	10.2210/pdb2gtn/pdb
Related	1yw2 1ywr 2ghl 2ghm
Descriptor	Mitogen-activated protein kinase 14, SULFATE ION, 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, ... (4 entities in total)
Functional Keywords	map kinase p38, p38, transferase
Biological source	Mus musculus (house mouse)
Cellular location	Cytoplasm : P47811
Total number of polymer chains	1
Total formula weight	40396.09
Authors	Walter, R.L.,Mekel, M.J.,Evdokimov, A.G.,Pokross, M.E.,Sabat, M. (deposition date: 2006-04-28, release date: 2006-07-11, Last modification date: 2024-04-03)
Primary citation	Sabat, M.,Vanrens, J.C.,Clark, M.P.,Brugel, T.A.,Maier, J.,Bookland, R.G.,Laufersweiler, M.J.,Laughlin, S.K.,Golebiowski, A.,De, B.,Hsieh, L.C.,Walter, R.L.,Mekel, M.J.,Janusz, M.J. The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16:4360-4365, 2006 Cited by PubMed Abstract: A series of C-2, C-8, and N-9 trisubstituted purine based inhibitors of TNF-alpha production are described. The most potent analogs showed low nanomolar activity against LPS-induced TNF-alpha production in a THP-1 cell based assay. The SAR of the series was optimized with the aid of X-ray co-crystal structures of these inhibitors bound with mutated p38 (mp38). PubMed: 16750367 DOI: 10.1016/j.bmcl.2006.05.050 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation