Fig. 4.
The protein-ligand complexes of SARS-CoV-2 3CLPro with three aldehydes. (A) the structures and inhibitory activity of aldehyde 10a, 10b and 10c. The co-crystal structures of SARS-CoV-2 3CLPro in complex with aldehyde 10a (B), 10b (C), and 10c (D), respectively. In the structure, the protease is presented as a white cartoon. The significant residues and inhibitor are shown as sticks (the protease residues are in green, 10a is in pink, 10b is in cyan and 10c is in wheat).