Cambridge Structural Database (CSD) is a world wide repository of small molecule crystal structures hosted by Cambridge Crystallographic Data Center (CCDC). The 2018 release contains over 900,000 entries (CSD version 5.39) – an increase of more than 60,000 entries! Read What's new in 2018 release. University of Michigan has unlimited site license to access CSD. You may access the database via either of the following two means.
1. WebCSD - the online portal to the CSD (Click here to access WebCSD)
(NOTE: as of April 2017, the only Web browsers that are fully compatible with WebCSD are Internet Explorer v.6.0 or later and Safari v.4.0 or later, due to WebCSD's reliance on Java applets for structure searching. If you prefer not to use either of these browsers, we recommend that you install CSDS on your local computer as described below. CCDC reports that they will remove the reliance on Java in WebCSD 2.0; no release date is yet available.)
2. Install Cambridge Structural Database System (CSDS) on your own computer.
Two Options to Download
Note: You will need the Site No. and Confirmation Code to register for the system after it is installed. Start Mercury or ConQuest or Mogul to register. Please read the release_install.pdf document after you download the software for troubleshooting problems during installation.
The availability of the CSDS for different operating systems is explained in the box below.
The difference between WebCSD and the CSDS client access is explained in the tab WebCSD and CSDS.
The 2018 CSD Release installer contains:
For downloading from M+Box Folder
Updating to Mac OS X 10.10 can cause an existing XQuartz installation to become corrupted. For OS X 10.8 and later a suitable X11 server can be downloaded from http://xquartz.macosforge.org.
Find more troubleshooting tips on the CCDC Support page.
If you are running on Windows or Linux, you should be able to install the latest updates seamlessly by simply clicking on Help > Check for Updates in either Mercury or Hermes. If you experience any problems, or you are running on Mac OSX, you will need to download and install the updates manually from the CCDC website: http://www.ccdc.cam.ac.uk
You can find out more about the updates from this blog article on the CCDC website: https://www.ccdc.cam.ac.uk/Community/blog/2018-02-frequent-releases/
This year you have access to CSD-Crossminer. CSD-CrossMiner is a novel tool that allows crystal structure databases such as the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB) to be searched in terms of pharmacophore queries. Intuitive pharmacophore queries describing, among others, protein−ligand interaction patterns, ligand scaffolds, or protein environments can be built and modified interactively. Matching crystal structures are overlaid onto the pharmacophore query and visualised as soon as they are available, enabling the user to quickly modify a hypothesis on the fly. This delivers an overall interactive search experience with application in the areas of interaction searching, scaffold hopping or the identification of novel fragments for specific protein environments.
For example use cases, please see:
Korb O, Kuhn B, Hert J, Taylor N, Cole J, Groom C & Stahl M “Interactive and Versatile Navigation of Structural Databases” J Med Chem, 2016, 59(9):4257, DOI: 10.1021/acs.jmedchem.5b01756.
To download CSD Crossminer (64-bit only), use Option 1 or Option 2. For Option 2, refer to the table below:
Users interested in setting up their own local IsoStar server on Linux can access the installer either using Option 1 or Option 2.
Advanced Python users can also download pip and conda packages to install into their own Python. More details on these packages can be found on our CSD Python API forum here: CSD Python API Forum
Relibase for easy searching of protein-ligand complexes.can be accessed via http://relibase.ccdc.cam.ac.uk
PreQuest is only available upon request. If you need access to it, please get in contact with the CCDC support team at firstname.lastname@example.org