8UR9

Crystal Structure of the SARS-CoV-2 Main Protease in Complex with Compound 61

Summary for 8UR9

• Entry DOI: 10.2210/pdb8ur9/pdb
• Descriptor: 3C-like proteinase nsp5, (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione (3 entities in total)
• Functional Keywords: hydrolase, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68216.47

Authors

Papini, C.,Zhang, C.H.,Jorgensen, W.L.,Anderson, K.S. (deposition date: 2023-10-25, release date: 2024-05-15)

• Primary citation: Papini, C.,Ullah, I.,Ranjan, A.P.,Zhang, S.,Wu, Q.,Spasov, K.A.,Zhang, C.,Mothes, W.,Crawford, J.M.,Lindenbach, B.D.,Uchil, P.D.,Kumar, P.,Jorgensen, W.L.,Anderson, K.S.; Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid.; Proc.Natl.Acad.Sci.USA, 121:e2320713121-e2320713121, 2024; PubMed: 38621119; DOI: 10.1073/pnas.2320713121

Experimental method

X-RAY DIFFRACTION (2.3 Å)