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5UIQ

Crystal structure of IRAK4 in complex with compound 9

Summary for 5UIQ
Entry DOI10.2210/pdb5uiq/pdb
Related5UIR 5UIS 5UIT 5UIU
DescriptorInterleukin-1 receptor-associated kinase 4, 2-[(propan-2-yl)oxy]benzamide (3 entities in total)
Functional Keywordstransferase, irak4, kinase, fragment screening
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm : Q9NWZ3
Total number of polymer chains4
Total formula weight147052.94
Authors
Han, S.,Chang, J.S. (deposition date: 2017-01-14, release date: 2017-05-24, Last modification date: 2017-07-26)
Primary citationLee, K.L.,Ambler, C.M.,Anderson, D.R.,Boscoe, B.P.,Bree, A.G.,Brodfuehrer, J.I.,Chang, J.S.,Choi, C.,Chung, S.,Curran, K.J.,Day, J.E.,Dehnhardt, C.M.,Dower, K.,Drozda, S.E.,Frisbie, R.K.,Gavrin, L.K.,Goldberg, J.A.,Han, S.,Hegen, M.,Hepworth, D.,Hope, H.R.,Kamtekar, S.,Kilty, I.C.,Lee, A.,Lin, L.L.,Lovering, F.E.,Lowe, M.D.,Mathias, J.P.,Morgan, H.M.,Murphy, E.A.,Papaioannou, N.,Patny, A.,Pierce, B.S.,Rao, V.R.,Saiah, E.,Samardjiev, I.J.,Samas, B.M.,Shen, M.W.H.,Shin, J.H.,Soutter, H.H.,Strohbach, J.W.,Symanowicz, P.T.,Thomason, J.R.,Trzupek, J.D.,Vargas, R.,Vincent, F.,Yan, J.,Zapf, C.W.,Wright, S.W.
Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60:5521-5542, 2017
Cited by
PubMed: 28498658
DOI: 10.1021/acs.jmedchem.7b00231
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.64 Å)
Structure validation

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