Fig. 2: Crystal structures of the SARS-CoV-2 3CLpro in complex with inhibitors. | Nature Communications

Fig. 2: Crystal structures of the SARS-CoV-2 3CLpro in complex with inhibitors.

From: Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease

Fig. 2

Binding modes of myricetin (a), baicalein (b), and compounds 3 and 7 (c) with the SARS-CoV-2 3CLpro. The protease is shown in gray cartoon, myricetin in green sticks, baicalein in blue purple sticks, compound 3 in orange sticks, compound 7 in light pink sticks, and the surrounding residues in palecyan sticks. H-bonds are represented by black dashed lines. 2Fo-Fc density maps are shown in slate for myricetin, baicalein, 3, and 7 contoured at 1.2σ.

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