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5UIT

Crystal structure of IRAK4 in complex with compound 14

Summary for 5UIT
Entry DOI10.2210/pdb5uit/pdb
Related5UIQ 5UIR 5UIS 5UIU
DescriptorInterleukin-1 receptor-associated kinase 4, 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide (3 entities in total)
Functional Keywordsirak4, kinase, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm : Q9NWZ3
Total number of polymer chains2
Total formula weight73694.83
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 (1.84 Å)
Structure validation

217705

数据于2024-03-27公开中

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