7C2V

Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948

Summary for 7C2V

• Entry DOI: 10.2210/pdb7c2v/pdb
• Descriptor: Interleukin-1 receptor-associated kinase 4, 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide (3 entities in total)
• Functional Keywords: irak4, inhibitor, ca-4948, kinase, cell cycle, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 137394.26

Authors

Krishnamurthy, N.R.,Robert, B. (deposition date: 2020-05-09, release date: 2020-11-25, Last modification date: 2023-11-29)

• Primary citation: Gummadi, V.R.,Boruah, A.,Ainan, B.R.,Vare, B.R.,Manda, S.,Gondle, H.P.,Kumar, S.N.,Mukherjee, S.,Gore, S.T.,Krishnamurthy, N.R.,Marappan, S.,Nayak, S.S.,Nellore, K.,Balasubramanian, W.R.,Bhumireddy, A.,Giri, S.,Gopinath, S.,Samiulla, D.S.,Daginakatte, G.,Basavaraju, A.,Chelur, S.,Eswarappa, R.,Belliappa, C.,Subramanya, H.S.,Booher, R.N.,Ramachandra, M.,Samajdar, S.; Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.; Acs Med.Chem.Lett., 11:2374-2381, 2020; PubMed: 33335659; DOI: 10.1021/acsmedchemlett.0c00255

Experimental method

X-RAY DIFFRACTION (2.44 Å)