5E1E

Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution

5E1E の概要

• エントリーDOI: 10.2210/pdb5e1e/pdb
• 分子名称: Tyrosine-protein kinase JAK1, DI(HYDROXYETHYL)ETHER, 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, ... (4 entities in total)
• 機能のキーワード: kinase, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Endomembrane system; Peripheral membrane protein: P23458
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 67924.29

構造登録者

Ferguson, A.D. (登録日: 2015-09-29, 公開日: 2015-11-25, 最終更新日: 2024-10-23)

主引用文献

Vasbinder, M.M.,Alimzhanov, M.,Augustin, M.,Bebernitz, G.,Bell, K.,Chuaqui, C.,Deegan, T.,Ferguson, A.D.,Goodwin, K.,Huszar, D.,Kawatkar, A.,Kawatkar, S.,Read, J.,Shi, J.,Steinbacher, S.,Steuber, H.,Su, Q.,Toader, D.,Wang, H.,Woessner, R.,Wu, A.,Ye, M.,Zinda, M.
Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26:60-67, 2016

PubMed Abstract: We have identified a class of azabenzimidazoles as potent and selective JAK1 inhibitors. Investigations into the SAR are presented along with the structural features required to achieve selectivity for JAK1 versus other JAK family members. An example from the series demonstrated highly selective inhibition of JAK1 versus JAK2 and JAK3, along with inhibition of pSTAT3 in vivo, enabling it to serve as a JAK1 selective tool compound to further probe the biology of JAK1 selective inhibitors.

PubMed: 26614408
DOI: 10.1016/j.bmcl.2015.11.031

実験手法

X-RAY DIFFRACTION (2.3 Å)