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Cambridge Structural Database (CSD)

Last Updated: Oct 11, 2018 11:52 AM

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Remote access to this resource requires a UBITName and password.


IMPORTANT NOTE: At this time, viewing and manipulating 3D structures requires a JAVA-compliant browser. The database producers are currently working on removing the JAVA requirement.

Established in 1965, Cambridge Structure Database is the largest repository for small-molecule organic and metal-organic crystal structures. CSD contains over 900,000 entries from x-ray and neutron diffraction analyses. All information is fully curated. Structures can be retrieved by chemical formula, cell parameters, substructures, similarity, and more. 3D structures can be viewed and manipulated, but a JAVA-compliant browser is required. Each structure entry is enriched with bibliographic, chemical and physical property information.  

The database is invaluable to chemists, structural biologist, biochemists, pharmaceutical scientists, physicist, biomedical researchers and many others.

For advanced users doing in-depth crystallographic research, CSD provides an extensive suite of downloadable software available only to UB patrons. Information about and instructions for downloading client software require you to enter your UBIT name and password. This software provides additional searching and analysis of structures including protein-ligand docking, interaction maps, ensemble studies, cavity comparison, binding site analysis, solid form studies such as packing searches.

Updated with over 40,000 new structures each year.

Dates Covered


Engineering Librarian

Erin Rowley's picture
Erin Rowley
119 Lockwood Library
University at Buffalo
Buffalo, NY 14260