X-ray crystal structures of SARS-CoV-2 Mpro in complex with inhibitors
(A) Cartoon representation of one protomer of the dimeric Mpro in complex with N3 (PDB ID: 6L7U). (B–G) An enlarged view of the substrate-binding pocket in a surface representation (red indicating hydrophobic residues, blue indicating charged residues, and gray indicating polar ones) in complex with different compounds. The catalytic Cys145 and His41 dyad are highlighted. (B) N3, PDB ID: 6LU7. (C) Carmofur, PDB ID: 7BUY. (D) 11a, PDB ID: 6LZE. (E) 13b, PDB ID: 6Y2F. (F) GC-376, PDB ID: 6WTT. (G) X77, PDB ID: 6W63. Images were generated with PyMOL 0.99 [68].