5K7I

IRAK4 in complex with AZ3864

5K7I の概要

• エントリーDOI: 10.2210/pdb5k7i/pdb
• 関連するPDBエントリー: 5K72 5K75 5K76 5K7G
• 分子名称: Interleukin-1 receptor-associated kinase 4, (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: inhibitor, kinase, protein tyrosine kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm : Q9NWZ3
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68753.68

構造登録者

Ferguson, A.D. (登録日: 2016-05-26, 公開日: 2017-12-06, 最終更新日: 2023-09-27)

• 主引用文献: Scott, J.S.,Degorce, S.L.,Anjum, R.,Culshaw, J.,Davies, R.D.M.,Davies, N.L.,Dillman, K.S.,Dowling, J.E.,Drew, L.,Ferguson, A.D.,Groombridge, S.D.,Halsall, C.T.,Hudson, J.A.,Lamont, S.,Lindsay, N.A.,Marden, S.K.,Mayo, M.F.,Pease, J.E.,Perkins, D.R.,Pink, J.H.,Robb, G.R.,Rosen, A.,Shen, M.,McWhirter, C.,Wu, D.; Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.; J. Med. Chem., 60:10071-10091, 2017; PubMed: 29172502; DOI: 10.1021/acs.jmedchem.7b01290

実験手法

X-RAY DIFFRACTION (2.31 Å)