A Comprehensive Dataset of protein-protein interactions and Ligand Binding Pockets for Advancing Drug Discovery

This dataset presents a comprehensive collection of structural data related to protein-protein interactions (PPIs) and ligand binding pockets. The dataset includes high-quality structural information that can aid researchers in the fields of bioinformatics, structural biology, and drug discovery. It encompasses a diverse set of PPI complexes and associated ligands, enabling detailed investigations into molecular interactions at the atomic level. This article introduces an indispensable resource designed to unlock the full potential of PPIs while pioneering a novel metric for pocket similarity for repurposing protein partners.