See also:

• Science: Chemistry: Chemical Databases  (66)

• Biological Macromolecule Crystallization Database (BMCD) - Contains crystal data and the crystallization conditions, which have been compiled from literature, including proteins, protein:protein complexes, nucleic acid, nucleic acid:nucleic acid complexes, protein:nucleic acid complexes, and viruses.
• Cambridge Structural Database (CSD) - Contains crystal structure information, chemical, and bibliographic data for about 400,000 organic and metal-organic compounds.
• Crystal TB - A database containing information on Protein Crystallization Conditions. It helps researchers in setting conditions for protein crystallization, thus contributing to reducing the time to analyze protein structures.
• Crystallography Open Database (COD) - A project accommodating crystal structure atomic coordinates prior to their publication. It is intended to give faster access to the latest structure determinations, openly.
• CSDSymmetry - The most complete collation of observed molecular and crystallographic symmetry properties to date. A relational database built using Microsoft Access.
• Database of Calculated Phase Diagrams of Fe-S Ternary Systems - Two types of database. One is calculated results for phase diagrams of each ternary system of Fe-Mn-S and Fe-Cr-S systems. Another is a literature database of binary and ternary systems.
• Heavy Atom Databank (HAD) - Information on the preparation and characterisation of heavy-atom derivatives of protein crystals. Also contains information resulting from an analysis of the binding of these heavy-atoms with proteins in the crystal environment.
• Homologous Structure Alignment Database (HOMSTRAD) - A database of structure-based alignments for homologous protein families. It provides annotated structural alignments in various formats, superimposed structures, links to other databases and the alignment and searching interface to the program FUGUE.
• Inorganic Crystal Structure Database (ICSD) - Contains records of all inorganic crystal structures, with atomic coordinates, published since 1913.
• Metalloprotein Database and Browser (MDB) - Contains quantitative information on all the metal-containing sites available from structures in the PDB distribution. Includes search and visualization interfaces.
• Metals Structure Database (CRYSTMET) - A database of critically evaluated crystallographic data for metals, including alloys, intermetallics and minerals. Contains chemical, crystallographic and bibliographic data together with associated comments regarding experimental details for each study.
• Nucleic Acid Database (NDB) - assembles and distributes structural information about nucleic acids.
• Peptaibol Database - Aims to provide a fully searchable database for the sequences of peptaibols. It deals primarily with naturally-occurring peptides, generally these have a fungal origin.
• Powder Diffraction File (PDF) - maintained by the International Centre for Diffraction Data (ICDD)
• The RCSB Protein Data Bank (PDB) - Archive of experimentally-determined, biological macromolecule 3-D structures from the Brookhaven National Laboratory. Also includes newsletters and a description of the PDB file format.
• SDPD-Database - Structure Determination by Powder Diffraction - Database : methods, tutorials, references and links.