PanLigra: Protein–Ligand Structural and Interaction Data

This dataset contains structural and computational files associated with the PanLigra protein–ligand interaction visualization application. It includes the crystallographic structure and interaction records for human AKT1 bound to inhibitor IQO (PDB ID: 3O96), together with molecular docking inputs, predicted binding poses, and docking scores for Cucurbitacin C7 against AKT1. The accompanying documentation identifies the deposited files and their use in reproducing the corresponding PanLigra application note examples.