6LRK

Human cGAS catalytic domain bound with compound 40

6LRK の概要

• エントリーDOI: 10.2210/pdb6lrk/pdb
• 分子名称: Cyclic GMP-AMP synthase, (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, ZINC ION, ... (4 entities in total)
• 機能のキーワード: cgas, inhibitor, complex structure, dna binding protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 86240.03

構造登録者

Zhao, W.F.,Xiong, M.Y.,Yuan, X.J.,Sun, H.B.,Xu, Y.C. (登録日: 2020-01-16, 公開日: 2020-06-24, 最終更新日: 2023-11-29)

• 主引用文献: Zhao, W.,Xiong, M.,Yuan, X.,Li, M.,Sun, H.,Xu, Y.; In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.; J.Chem.Inf.Model., 60:3265-3276, 2020; PubMed: 32459092; DOI: 10.1021/acs.jcim.0c00171

実験手法

X-RAY DIFFRACTION (2.25 Å)