8SCE

Crystal structure of IRAK4-HSA complexed with N-[(2R)-2-FLUORO-3-HYDROXY-3-METHYLBUTYL]-6-[(5-FLUOROPYRI-YL)AMINO]-4-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXAMIDE

Summary for 8SCE

• Entry DOI: 10.2210/pdb8sce/pdb
• Descriptor: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: kinase, irak4, ligand, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 138956.13

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 (1.89 Å)