7YGQ

Crystal structure of SARS main protease in complex with inhibitor YH-53

Summary for 7YGQ

• Entry DOI: 10.2210/pdb7ygq/pdb
• Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (3 entities in total)
• Functional Keywords: viral protein-inhibitor complex, viral protein/inhibitor
• Biological source: Severe acute respiratory syndrome-related coronavirus
• Total number of polymer chains: 2
• Total formula weight: 67541.12

Authors

Lin, C.,Zhong, F.L.,Zhou, X.L.,Zeng, P.,Zhang, J.,Li, J. (deposition date: 2022-07-12, release date: 2022-12-21, Last modification date: 2023-11-29)

• Primary citation: Hu, X.,Lin, C.,Xu, Q.,Zhou, X.,Zeng, P.,McCormick, P.J.,Jiang, H.,Li, J.,Zhang, J.; Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.; Viruses, 14:-, 2022; PubMed: 36146880; DOI: 10.3390/v14092075

Experimental method

X-RAY DIFFRACTION (2.04 Å)