8UAB

SARS-CoV-2 main protease (Mpro) complex with AC1115

8UAB の概要

• エントリーDOI: 10.2210/pdb8uab/pdb
• 分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (3 entities in total)
• 機能のキーワード: inhibitor, complex, protease, monomer, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34240.04

構造登録者

DuPrez, K.T.,Chao, A.,Han, F.Q. (登録日: 2023-09-20, 公開日: 2024-02-07, 最終更新日: 2024-10-16)

主引用文献

Mao, L.,Shaabani, N.,Zhang, X.,Jin, C.,Xu, W.,Argent, C.,Kushnareva, Y.,Powers, C.,Stegman, K.,Liu, J.,Xie, H.,Xu, C.,Bao, Y.,Xu, L.,Zhang, Y.,Yang, H.,Qian, S.,Hu, Y.,Shao, J.,Zhang, C.,Li, T.,Li, Y.,Liu, N.,Lin, Z.,Wang, S.,Wang, C.,Shen, W.,Lin, Y.,Shu, D.,Zhu, Z.,Kotoi, O.,Kerwin, L.,Han, Q.,Chumakova, L.,Teijaro, J.,Royal, M.,Brunswick, M.,Allen, R.,Ji, H.,Lu, H.,Xu, X.
Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19
Med, 5:42-61.e23, 2024

PubMed Abstract: Oral antiviral drugs with improved antiviral potency and safety are needed to address current challenges in clinical practice for treatment of COVID-19, including the risks of rebound, drug-drug interactions, and emerging resistance.

PubMed: 38181791
DOI: 10.1016/j.medj.2023.12.004

実験手法

X-RAY DIFFRACTION (1.781 Å)