9W4P

Crystal Structure of SARS-CoV-2 Main Protease in Complex with a Broad-spectrum Inhibitor

This is a non-PDB format compatible entry.

Summary for 9W4P

• Entry DOI: 10.2210/pdb9w4p/pdb
• Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[(2S,3aS,7aS)-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide (3 entities in total)
• Functional Keywords: sars coronavirus-2 main proteinase 3c-like protease inhibitor, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34192.00

Authors

Liu, L.,Chen, Z.F.,Yang, X.,Zhang, X.L.,Liu, H.,Bai, F. (deposition date: 2025-08-01, release date: 2026-08-05)

• Primary citation: Liu, L.,Wang, J.L.,Wang, S.H.,Dai, W.H.,Zhang, X.L.,Bai, F.,Liu, H.; Harnessing AI, Structural Biology, and Medicinal Chemistry to Overcome Viral Diversity: Broad-Spectrum 3C/3CL Protease Inhibitors Effective Across Pisoniviricetes; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.05 Å)