Automatic Structure Curation

Protein structures in the PDB (Protein Data Bank) are crucial for both structural biology and drug design. High-resolution protein data provide valuable insights into the interactions between drugs and their target proteins, enabling the optimization of molecular design. Examining all crystal structures of a specific target is essential for understanding conformational changes, identifying conserved and variable regions, and exploring the diversity of ligand-binding modes, all of which are key to advancing effective drug discovery.