7QUW

CVB3-3Cpro in complex with inhibitor MG-78

This is a non-PDB format compatible entry.

Summary for 7QUW

• Entry DOI: 10.2210/pdb7quw/pdb
• Descriptor: Protease 3C, (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total)
• Functional Keywords: inhibitor complex, sars-cov2, viral protein
• Biological source: Coxsackievirus B3
• Total number of polymer chains: 1
• Total formula weight: 20476.65

Authors

Zhang, L.,Hilgenfeld, R. (deposition date: 2022-01-19, release date: 2022-03-09, Last modification date: 2024-01-31)

• Primary citation: Gohl, M.,Zhang, L.,El Kilani, H.,Sun, X.,Zhang, K.,Bronstrup, M.,Hilgenfeld, R.; From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.; Molecules, 27:-, 2022; PubMed: 35807537; DOI: 10.3390/molecules27134292

Experimental method

X-RAY DIFFRACTION (1.65 Å)