4XS2

Irak4-inhibitor co-structure

4XS2 の概要

• エントリーDOI: 10.2210/pdb4xs2/pdb
• 分子名称: Interleukin-1 receptor-associated kinase 4, (1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol (3 entities in total)
• 機能のキーワード: kinase, phosphatase, 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: 4
• 化学式量合計: 137744.70

構造登録者

Fischmann, T.O. (登録日: 2015-01-21, 公開日: 2015-05-13, 最終更新日: 2023-09-27)

• 主引用文献: McElroy, W.T.,Michael Seganish, W.,Jason Herr, R.,Harding, J.,Yang, J.,Yet, L.,Komanduri, V.,Prakash, K.C.,Lavey, B.,Tulshian, D.,Greenlee, W.J.,Sondey, C.,Fischmann, T.O.,Niu, X.; Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4.; Bioorg.Med.Chem.Lett., 25:1836-1841, 2015; PubMed: 25870132; DOI: 10.1016/j.bmcl.2015.03.043

実験手法

X-RAY DIFFRACTION (2.73 Å)