5K72

IRAK4 in complex with Compound 21

Summary for 5K72

• Entry DOI: 10.2210/pdb5k72/pdb
• Related: 5K75 5K76 5K7G 5K7I
• Descriptor: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine, ... (4 entities in total)
• Functional Keywords: inhibitor, kinase, protein tyrosine kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm : Q9NWZ3
• Total number of polymer chains: 4
• Total formula weight: 137359.04

Authors

Ferguson, A.D. (deposition date: 2016-05-25, release date: 2017-12-06, Last modification date: 2023-09-27)

• Primary citation: Scott, J.S.,Degorce, S.L.,Anjum, R.,Culshaw, J.,Davies, R.D.M.,Davies, N.L.,Dillman, K.S.,Dowling, J.E.,Drew, L.,Ferguson, A.D.,Groombridge, S.D.,Halsall, C.T.,Hudson, J.A.,Lamont, S.,Lindsay, N.A.,Marden, S.K.,Mayo, M.F.,Pease, J.E.,Perkins, D.R.,Pink, J.H.,Robb, G.R.,Rosen, A.,Shen, M.,McWhirter, C.,Wu, D.; Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.; J. Med. Chem., 60:10071-10091, 2017; PubMed: 29172502; DOI: 10.1021/acs.jmedchem.7b01290

Experimental method

X-RAY DIFFRACTION (2.22 Å)