5UZK

Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor

5UZK の概要

• エントリーDOI: 10.2210/pdb5uzk/pdb
• 関連するPDBエントリー: 5UZJ
• 分子名称: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, ... (4 entities in total)
• 機能のキーワード: phosphorylation, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 43257.35

構造登録者

Jacobs, M.D.,Brown, K. (登録日: 2017-02-26, 公開日: 2018-03-07, 最終更新日: 2024-11-20)

主引用文献

Bandarage, U.K.,Cao, J.,Come, J.H.,Court, J.J.,Gao, H.,Jacobs, M.D.,Marhefka, C.,Nanthakumar, S.,Green, J.
ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28:2622-2626, 2018

PubMed Abstract: Rho kinase (ROCK) inhibitors are potential therapeutic agents for the treatment of a variety of disorders including hypertension, glaucoma and erectile dysfunction. Here we disclose a series of potent and selective ROCK inhibitors based on a substituted 7-azaindole scaffold. Substitution of the 3-position of 7-azaindole led to compounds such as 37, which possess excellent ROCK inhibitory potency and high selectivity against the closely related kinase PKA.

PubMed: 30082069
DOI: 10.1016/j.bmcl.2018.06.040

実験手法

X-RAY DIFFRACTION (2.3 Å)