8UAB

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

Summary for 8UAB

• Entry DOI: 10.2210/pdb8uab/pdb
• Descriptor: 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)
• Functional Keywords: inhibitor, complex, protease, monomer, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34240.04

Authors

DuPrez, K.T.,Chao, A.,Han, F.Q. (deposition date: 2023-09-20, release date: 2024-02-07, Last modification date: 2024-10-16)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.781 Å)