6VQL

CRYSTAL STRUCTURE OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4-WT) COMPLEX WITH A NICOTINAMIDE INHIBITOR

Summary for 6VQL

• Entry DOI: 10.2210/pdb6vql/pdb
• Descriptor: Interleukin-1 receptor-associated kinase 4, 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 139768.94

Authors

Sack, J.S. (deposition date: 2020-02-05, release date: 2020-06-24, Last modification date: 2023-10-11)

• Primary citation: Nair, S.,Kumar, S.R.,Paidi, V.R.,Sistla, R.,Kantheti, D.,Polimera, S.R.,Thangavel, S.,Mukherjee, A.J.,Das, M.,Bhide, R.S.,Pitts, W.J.,Murugesan, N.,Dudhgoankar, S.,Nagar, J.,Subramani, S.,Mazumder, D.,Carman, J.A.,Holloway, D.A.,Li, X.,Fereshteh, M.P.,Ruepp, S.,Palanisamy, K.,Mariappan, T.T.,Maddi, S.,Saxena, A.,Elzinga, P.,Chimalakonda, A.,Ruan, Q.,Ghosh, K.,Bose, S.,Sack, J.,Yan, C.,Kiefer, S.E.,Xie, D.,Newitt, J.A.,Saravanakumar, S.P.,Rampulla, R.A.,Barrish, J.C.,Carter, P.H.,Hynes Jr., J.; Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.; Acs Med.Chem.Lett., 11:1402-1409, 2020; PubMed: 32676146; DOI: 10.1021/acsmedchemlett.0c00082

Experimental method

X-RAY DIFFRACTION (2.069 Å)