Interactive Version - RSK2 and BI-D1870 complex
RSK2 in Complex with BI-D1870 - SketchFab
Lowest energy snapshot of ribosomal protein S6 kinase 2 (RSK2) with bound inhibitor BI-D1870 (PDB ID: 5D9K) from a 1 nanosecond molecular dynamics refinement simulation with explicit solvent using the YASARA2 forcefield. These data provided the basis for the design of novel inhibitors of RSK2 with greater specificity and reduced toxicity as new therapies for cancer treatment. The dashed lines indicate non-bonded interactions, green = hydrogen bonds, light green = carbon-hydrogen bonds, purple = pi-sigma, and pink = hydrophobic interactions. I conducted the dynamics simulations and generated all the images. Rendered in Lightwave 2019.