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CSD specifications


Unique identifier OMICS_02739
Name CSD
Alternative name Cambridge Structural Database
Restrictions to use None
Maintained Yes


  • person_outline Dr. Colin R. Groom

Publication for Cambridge Structural Database

CSD citations


Evaluation of HER2 specific peptide ligand for its employment as radiolabeled imaging probe

Sci Rep
PMCID: 5812989
PMID: 29445216
DOI: 10.1038/s41598-018-21283-3

[…] The 3D structure of the complex between HER2-DIVMP and 111In-DTPA-A9 was modelled. The atomic coordinates of 111In-DTPA were retrieved from CSD (The Cambridge Structural Database), code XIKVES, whereas a representative conformation of the complex A9/HER2-DIVMP was extracted from the most populated cluster of structures obtained by our previous Mol […]


Validation of Structures in the Protein Data Bank

PMCID: 5718880
PMID: 29174494
DOI: 10.1016/j.str.2017.10.009
call_split See protocol

[…] drate molecules is analyzed with the Mogul software (). For each bond length, bond angle, dihedral angle and ring pucker, Mogul searches through high-quality, small-molecule crystal structures in the Cambridge Structural Database (CSD) () to identify similar fragments. Each bond length, angle, and so forth in the compound is compared against the distribution of values found in comparable fragments […]


Hydrogen bonds to Au atoms in coordinated gold clusters

Nat Commun
PMCID: 5603579
PMID: 28924211
DOI: 10.1038/s41467-017-00720-3

[…] pically. Hydrogen atoms were located at calculated positions (riding model) and refined isotropically. The structure of 2∙(NO3)2 was reported in 1982 by van der Velden et al., and is available in The Cambridge Structural Database (CSD version 5.37) (Refcode BOTSOS). However, the data quality is not satisfactory (no H atom information is given), so we newly prepared the crystals and carried out the […]


Reactions of biologically inspired hydride sources with B(C6F5)3

Philos Trans A Math Phys Eng Sci
PMCID: 5540842
PMID: 28739967
DOI: 10.1098/rsta.2017.0009

[…] s solved by direct methods and refined against F2 within SHELXL-2013 []. A summary of crystallographic data are available as the electronic supplementary material and the structure deposited with the Cambridge Structural Database (CCDC deposition number 1532113). These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif. Geome […]


Structural basis of Zn(II) induced metal detoxification and antibiotic resistance by histidine kinase CzcS in Pseudomonas aeruginosa

PLoS Pathog
PMCID: 5540610
PMID: 28732057
DOI: 10.1371/journal.ppat.1006533

[…] rtion of dimer induced by Co(II) is less than that of Zn(II) (). This may be caused by the different coordination geometry preferred by Co(II) and Zn(II). As the data from Protein Data Bank (PDB) and Cambridge Structural Database (CSD), the octahedral geometry is preferred by Co(II) coordination and tetrahedral geometry is more preferred by Zn(II) coordination. […]


Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm2(C2O4)3·10H2O as a case study

PMCID: 5600022
PMID: 28932405
DOI: 10.1107/S2052252517008624

[…] structure determinations. The strain ellipsoid parameters were calculated based on the cell parameters of the parent and product phases.Structural data were deposited in the form of CIF files in the Cambridge Structural Database (Groom et al., 2016), with identification numbers CCDC 1521443 for Sm2(C2O4)3·10H2O and 1521444 for Sm2(C2O4)3·6H2O. These can be downloaded free of charge from http://ww […]


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CSD institution(s)
Executive Director, Cambridge Crystallographic Data Centre, Cambridge, UK

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