5O8U

Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C

Summary for 5O8U

Entry DOI	10.2210/pdb5o8u/pdb
Descriptor	Mitogen-activated protein kinase 14, 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one (3 entities in total)
Functional Keywords	kinase, small molecule, lipid pocket, p38, covalent, mutant, transferase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : Q16539
Total number of polymer chains	1
Total formula weight	41769.77
Authors	Buehrmann, M.,Rauh, D. (deposition date: 2017-06-14, release date: 2017-09-06, Last modification date: 2024-01-17)
Primary citation	Buhrmann, M.,Hardick, J.,Weisner, J.,Quambusch, L.,Rauh, D. Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants. Angew. Chem. Int. Ed. Engl., 56:13232-13236, 2017 Cited by PubMed: 28834017 DOI: 10.1002/anie.201706345 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation