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. 2023 Mar 1;66(6):3664–3702. doi: 10.1021/acs.jmedchem.2c01229

Figure 11.

Figure 11

(a) EK1 and EK1C4 structures. Letters highlighted in red represent interhelix salt bridges between charged amino acids. IC50 for SARS-CoV-2 PsV infection is 2.4 μM for EK1 and 15.8 nM for EK1C4. (b) Simulation of EK1 folding from its linear amino acid sequence in physiological conditions obtained with PEPFold. (c, d) Crystal of S protein in complex with EK1 peptide (PDB ID 7C53). Blue ribbons represent SARS-CoV-2 S protein HR domain; orange ribbons represent EK1 peptide. Bridge salts at <3.5 Å are represented by yellow dashes.