8J3T

Complex structure of human cytomegalovirus protease and a non-covalent small-molecule ligand

8J3T の概要

• エントリーDOI: 10.2210/pdb8j3t/pdb
• 分子名称: Assemblin, (4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide (3 entities in total)
• 機能のキーワード: protease, hydrolase
• 由来する生物種: Human betaherpesvirus 5
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 59637.03

構造登録者

Yoshida, S.,Sako, Y.,Nikaido, E.,Ueda, T.,Kozono, I.,Ichihashi, Y.,Nakahashi, A.,Onishi, M.,Yamatsu, Y.,Kato, T.,Nishikawa, J.,Tachibana, Y. (登録日: 2023-04-18, 公開日: 2023-11-08, 最終更新日: 2023-11-29)

• 主引用文献: Yoshida, S.,Sako, Y.,Nikaido, E.,Ueda, T.,Kozono, I.,Ichihashi, Y.,Nakahashi, A.,Onishi, M.,Yamatsu, Y.,Kato, T.,Nishikawa, J.,Tachibana, Y.; Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases.; Acs Med.Chem.Lett., 14:1558-1566, 2023; PubMed: 37974946; DOI: 10.1021/acsmedchemlett.3c00359

実験手法

X-RAY DIFFRACTION (2.9 Å)