5W85

CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 9)

Summary for 5W85

Entry DOI	10.2210/pdb5w85/pdb
Related	5w84 5w86
Descriptor	Interleukin-1 receptor-associated kinase 4, 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide (3 entities in total)
Functional Keywords	serine/threonine protein kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : Q9NWZ3
Total number of polymer chains	2
Total formula weight	69412.18
Authors	Sack, J.S. (deposition date: 2017-06-21, release date: 2017-10-11, Last modification date: 2017-10-25)
Primary citation	Bhide, R.S.,Keon, A.,Weigelt, C.,Sack, J.S.,Schmidt, R.J.,Lin, S.,Xiao, H.Y.,Spergel, S.H.,Kempson, J.,Pitts, W.J.,Carman, J.,Poss, M.A. Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg. Med. Chem. Lett., 27:4908-4913, 2017 Cited by PubMed: 28947151 DOI: 10.1016/j.bmcl.2017.09.029 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation