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Review: Precision medicine and driver mutations: Computational methods, functional assays and conformational principles for interpreting cancer drivers

Fig 11

Crystal structures of KRas4BG12C and covalent inhibitors.

Cartoon (left panel) and surface (middle panel) representations of the crystal structure of KRas4BG12C-GDP in complex with covalently linked inhibitors (right panel) of (A) compound 4, (B) compound 9, and (C) compound 16 (PDB codes: 4LV6, 4LYJ, and 4M22, respectively) [116]. In the protein structures, light green, blue, and orange colors denote the P-loop, Switch I, and Switch II regions, respectively. In the compound structures, C, N, and O atoms are denoted as white, blue, and red spheres, respectively. Hydrogen atom is represented as an edge of stick. Other heavy atoms, S, Cl, and I atoms are marked on the sphere.

Fig 11

doi: https://doi.org/10.1371/journal.pcbi.1006658.g011