7X9Q

Crystal structure of human STING complexed with compound BSP16

7X9Q の概要

• エントリーDOI: 10.2210/pdb7x9q/pdb
• 分子名称: Stimulator of interferon genes protein, (2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid (3 entities in total)
• 機能のキーワード: sting agonists, immune system
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 26389.57

構造登録者

Pan, L.,Guan, X.,Feng, X.,Li, Z.,Bian, J. (登録日: 2022-03-15, 公開日: 2022-09-28, 最終更新日: 2023-11-29)

主引用文献

Feng, X.,Pan, L.,Qian, Z.,Liu, D.,Guan, X.,Feng, L.,Song, B.,Xu, X.,Tan, N.,Ma, Y.,Li, Z.,Wang, Z.,Bian, J.
Discovery of Selenium-Containing STING Agonists as Orally Available Antitumor Agents.
J.Med.Chem., 65:15048-15065, 2022

PubMed Abstract: Activation of the stimulator of interferon genes (STING) pathway to achieve antitumor response is an attractive approach for cancer immunotherapy. In this study, we report the identification of () as a potent, orally available STING agonist. strongly activates STING signaling in human and mouse cells and binds STING as a homodimer. A 2.4 Å cocrystal structure revealed that could induce the "closed" conformation of STING. studies revealed that is well tolerated, has an excellent pharmacokinetic profile as an oral drug, and induces tumor regression and durable antitumor immunity. The promising bioactivities of make it valuable for further development as an antitumor agent.

PubMed: 36069713
DOI: 10.1021/acs.jmedchem.2c00634

実験手法

X-RAY DIFFRACTION (2.4 Å)