8HHT

Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1

Summary for 8HHT

• Entry DOI: 10.2210/pdb8hht/pdb
• Descriptor: 3C-like proteinase nsp5, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: severe acute respiratory syndrome coronavirus 2, main protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34377.29

Authors

Zeng, R.,Xie, L.W.,Huang, C.,Wang, K.,Liu, Y.Z.,Yang, S.Y.,Lei, J. (deposition date: 2022-11-17, release date: 2023-03-29, Last modification date: 2023-11-29)

• Primary citation: Huang, C.,Shuai, H.,Qiao, J.,Hou, Y.,Zeng, R.,Xia, A.,Xie, L.,Fang, Z.,Li, Y.,Yoon, C.,Huang, Q.,Hu, B.,You, J.,Quan, B.,Zhao, X.,Guo, N.,Zhang, S.,Ma, R.,Zhang, J.,Wang, Y.,Yang, R.,Zhang, S.,Nan, J.,Xu, H.,Wang, F.,Lei, J.,Chu, H.,Yang, S.; A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.; Signal Transduct Target Ther, 8:128-128, 2023; PubMed: 36928316; DOI: 10.1038/s41392-023-01392-w

Experimental method

X-RAY DIFFRACTION (1.95 Å)