8V1O

Crystal structure of IRAK4 kinase domain with compound 4

Summary for 8V1O

• Entry DOI: 10.2210/pdb8v1o/pdb
• Descriptor: Interleukin-1 receptor-associated kinase 4, N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide, GLYCEROL, ... (6 entities in total)
• Functional Keywords: kinase for important for immune response. protac design., immune system
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 150924.24

Authors

Weiss, M.M.,Zheng, X.,Browne, C.M.,Campbell, V.,Chen, D.,Enerson, B.,Fei, X.,Huang, X.,Klaus, C.R.,Li, H.,Mayo, M.,McDonald, A.A.,Paul, A.,Sharma, K.,Shi, Y.,Slavin, A.,Walter, D.M.,Yuan, K.,Zhang, Y.,Zhu, X.,Kelleher, J.,Ji, N.,Walker, D.,Mainolfi, N. (deposition date: 2023-11-21, release date: 2024-07-03, Last modification date: 2024-07-24)

• Primary citation: Weiss, M.M.,Zheng, X.,Ji, N.,Browne, C.M.,Campbell, V.,Chen, D.,Enerson, B.,Fei, X.,Huang, X.,Klaus, C.R.,Li, H.,Mayo, M.,McDonald, A.A.,Paul, A.,Rong, H.,Sharma, K.,Shi, Y.,Slavin, A.,Walther, D.M.,Yuan, K.,Zhang, Y.,Zhu, X.,Kelleher, J.,Walker, D.,Mainolfi, N.; Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.; J.Med.Chem., 67:10548-10566, 2024; PubMed: 38920289; DOI: 10.1021/acs.jmedchem.3c01823

Experimental method

X-RAY DIFFRACTION (2.92 Å)