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 Cited by PubMed: 38621119DOI: 10.1073/pnas.2320713121 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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