7LYH

Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1

Summary for 7LYH

• Entry DOI: 10.2210/pdb7lyh/pdb
• Descriptor: 3C-like proteinase, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate, GLYCEROL, ... (4 entities in total)
• Functional Keywords: mpro, inhibitor, main protease, 3cl, sars, sars-cov-2, covid, covid-19, viral protein, viral protein-inhibitor complex, viral protein/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
• Total number of polymer chains: 1
• Total formula weight: 34439.24

Authors

Sacco, M.,Wang, J.,Chen, Y. (deposition date: 2021-03-07, release date: 2021-03-17, Last modification date: 2023-10-18)

• Primary citation: Xia, Z.,Sacco, M.,Hu, Y.,Ma, C.,Meng, X.,Zhang, F.,Szeto, T.,Xiang, Y.,Chen, Y.,Wang, J.; Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.; Acs Pharmacol Transl Sci, 4:1408-1421, 2021; PubMed: 34414360; DOI: 10.1021/acsptsci.1c00099

Experimental method

X-RAY DIFFRACTION (1.9 Å)