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(A) Docking conformation of Cbz-Lys-Arg-(4-GuPhe)P(OH)2 (38, green) in the binding site of NS2B/NS3 protease. The peptidyl inhibitor is shown in red (Bz-Nle-Lys-Arg-Arg-H) is present in the original crystal structure of WNV protease (2fp7.pdb). (B) Interaction of Cbz-Lys-Arg-(4GuPhe)P(OH)2 (38, orange) with the NS2B/NS3 active site. The hydrogen bond network is indicated with yellow dashed lines.
