5N66

Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j

Summary for 5N66

Entry DOI	10.2210/pdb5n66/pdb
Descriptor	Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine, 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, ... (4 entities in total)
Functional Keywords	kinase, small molecule, lipid pocket, p38, quinazoline, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	42241.30
Authors	Buehrmann, M.,Mueller, M.P.,Wiedemann, B.,Rauh, D. (deposition date: 2017-02-14, release date: 2017-09-20, Last modification date: 2024-01-17)
Primary citation	Buhrmann, M.,Wiedemann, B.M.,Muller, M.P.,Hardick, J.,Ecke, M.,Rauh, D. Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12:e0184627-e0184627, 2017 Cited by PubMed: 28892510 DOI: 10.1371/journal.pone.0184627 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation