8SCV

Crystal structure of IRAK4-HSA complexed with BMS-986126; 6-((5-CYANO-2-PYRIMIDINYL)AMINO)-N-((2R)-2-FLUORO-3-HYDROXHYLBUTYL)-4-(ISOPROPYLAMINO)NICOTINAMIDE

Summary for 8SCV

Entry DOI	10.2210/pdb8scv/pdb
Descriptor	Interleukin-1 receptor-associated kinase 4, 6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide, SULFATE ION, ... (5 entities in total)
Functional Keywords	kinase, irak4, ligand, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human) More
Total number of polymer chains	2
Total formula weight	69460.15
Authors	Muckelbauer, J.K.,Ghosh, K. (deposition date: 2023-04-05, release date: 2025-02-12)
Primary citation	Kumar, S.R.,Dudhgoankar, S.,Santella, J.B.,Paidi, V.R.R.,Nair, S.,Sistla, R.,Wu, H.,Gardner, D.S.,Stachura, S.,Cavallaro, C.L.,Brown, G.D.,Pitts, W.J.,Kempson, J.,Tebben, A.J.,Tokarski, J.S.,Zhu, X.,Carman, J.A.,Foster, K.,Caceres Cortes, J.,Everlof, G.,Galella, M.A.,Sarjeant, A.,Holloway, D.A.,Fan, L.,Li, X.,Chaudhry, C.,Locke, G.,Chimalakondra, A.,Mariappan, T.T.,Ruepp, S.,Elzinga, P.A.,Saxena, A.,Xie, D.,Kiefer, S.E.,Yan, C.,Newitt, J.A.,Ghosh, K.,Anumula, R.K.,Sack, J.S.,Tino, J.A.,Carter, P.H.,Hynes, J.,Duncia, J.V. The Discovery of IRAK4 Inhibitor Clinical Candidates BMS-986126 and BMS-986147 for the Treatment of Autoimmune Diseases To Be Published,
Experimental method	X-RAY DIFFRACTION (2.69 Å)

Structure validation