Relibase is a web-based system for searching and analysing protein-ligand structures in the Protein Data Bank (PDB).

Data mining is the first step of every structural biology project. Relibase provides an easily accessible web-browser interface and clear 3D structure visualisation. Use Relibase to explore structures using text, 2D substructure, SMILES and SMARTS searches. 3D protein-ligand interaction searches can be easily performed using the integrated sketcher allowing you to understand and assess the interactions that are important to molecular recognition in protein-ligand systems.

Sophisticated automatic superimposition and detailed analysis of related binding sites allow you to identify protein flexibility, ligand overlap, and conserved water positions.

Relibase features comprehensive coverage of the PDB and is regularly updated with newly deposited structures. Each structure uploaded to Relibase undergoes extensive validation and processing including the accurate assignment of ligand atom and bond types, generation of ligand diagrams and comprehensive secondary structure assignments.

Important announcement:

As part of our longer-term strategy to provide leading edge software for our user community we will shortly be closing the general access portal to Relibase. The update service will be withdrawn in November 2018 ahead of the server being removed from service on December 31st, 2018. 

Many of the free features provided in Relibase are now available through alternative public resources, such as the World Wide PDB and so are not being used by the wider community through Relibase. That said, we recognise that there are significant parts of Relibase that are unique and highly valuable to the community.

Following consultation with our user community, much of this user-critical functionality from Relibase has been embedded inside our CSD Python API and through CSD-CrossMiner, a new desktop tool for searching the CSD and the PDB together. We will continue with this process during 2018 and beyond.

Consequently, we are now able to provide a better way for users to interact with both CSD and PDB data going forward and allow end users to integrate the searches and information into their own workflows in more flexible ways than Relibase (and Relibase+) currently offers.

For any enquiries relating to this, please contact our support team via