Fig. 2: X-ray crystal structures with SARS-CoV-2 PLpro inhibitors. | Nature Communications

Fig. 2: X-ray crystal structures with SARS-CoV-2 PLpro inhibitors.

From: Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19

Fig. 2: X-ray crystal structures with SARS-CoV-2 PLpro inhibitors.

X-ray co-crystal structure of SARS-CoV-2 PLpro with GZNL-P4 (a), GZNL-P28 (b), GZNL-P31 (c), and GZNL-P35(d). The residues interacting with the ligand are shown as yellow sticks, GZNL-P4 (PDB: 8YX2), GZNL-P28 (PDB: 8YX3), GZNL-P31 (PDB: 8YX4), and GZNL-P35 (PDB: 8YX5) are shown as brown sticks. Hydrogen bonds are shown as black dashed lines and the water molecules are shown as small red spheres. The distances of hydrogen bonds and the residues are labeled. The omitted electron densities (2Fo-Fc) of GZNL-P4, 28, 31, and 35 were shown at 1 σ level. The values of IC50 are presented as mean of two (GZNL-P28, GZNL-P31, and GZNL-P35) or three (GZNL-P4) technical replicates.

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