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Thioguanosine (magenta), MG-132 (white), and myricetin21 (green) docked into monomer 3CL-Pro (see also ref (21)). Catalytic Cys145 are highlighted behind the water-accessible surfaces in ball and stick, while ligands are in stick representation. Protein cavity water-accessible surface is colored by hydrophilicity. The most probable thioguanosine tautomer with the thiol form has been considered according to QM calculations (see Figure S-8). Reproduced from ref (21).
