Fig. 2
From: Targeting KRASG13C with cyclic linker based inhibitors to explore warhead orientation
Design of novel nucleotide-based inhibitors with cyclic linkers (A): Co-crystal structure of KRASG13C covalently modified by eda-GDP (PDB 7OK3) indicating a bend conformation of the linker regions. (B): Modelled pose of a GDP-based inhibitor featuring a cyclic linker in KRASG13C (modelling carried out in LigandScout37, based on PDB ID 7OK3). PyMOL (version 3.1.0, W.L. DeLano, The PyMOL Molecular Graphics System) was used for generating the 3D figures.
