4YOI

Structure of HKU4 3CLpro bound to non-covalent inhibitor 1A

4YOI の概要

• エントリーDOI: 10.2210/pdb4yoi/pdb
• 関連するPDBエントリー: 4YO9 4YOG 4YOJ
• 分子名称: 3C-like proteinase, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide, ACETATE ION, ... (5 entities in total)
• 機能のキーワード: hku4 3clpro mpro nsp5, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Bat coronavirus HKU4 (BtCoV)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 67691.05

構造登録者

St John, S.E.,Mesecar, A. (登録日: 2015-03-11, 公開日: 2015-08-05, 最終更新日: 2024-02-28)

• 主引用文献: St John, S.E.,Tomar, S.,Stauffer, S.R.,Mesecar, A.D.; Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).; Bioorg.Med.Chem., 23:6036-6048, 2015; PubMed: 26190463; DOI: 10.1016/j.bmc.2015.06.039

実験手法

X-RAY DIFFRACTION (1.82 Å)