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Structure and Information of Small Molecules, Substances and/or Biopolymers

1. PubChem

2. Drug Bank

3. KEGG DRUG Database


5. The Human Metabolome Database (HMDB)

Crystal Structures of Organic, Inorganic, Metal-Organics Compounds and Minerals


1. Cambridge Crystallographic Data Centre (CCDC)

2. Crystallography Open Database (COD)

3. Inorganic Crystal Structure Database (ICSD)

4. Metals Structure Database (CRYSTMET) 

5. Mineral crystal structure database (MCSD)

6. American Mineralogist Crystal Structure Database (AMCSD)

7. Mineral Structures Database (MSD)

8. Mineralogy Database

9. Raman spectra, X-ray diffraction and chemistry data for minerals RRUFF Database

Reticular Chemistry Structure Resources

1. Reticular Chemistry Structure Resource (RCSC)

2. EPINET Database of Nets

3. Database of Zeolite Structures

4. Cambridge Crystallographic Data Centre (CCDC)

5. A tool for geometrical and topological analysis of crystal structures ToposPro

6. A program to analyse: Symmetry, Structure (Recognition) and Refinement (Systre)


Proteins and Enzymes

1. Protein Data Bank

2. Universal Protein Database (UniProt)

3. Enzyme Database (BRENDA)

4. KEGG ENZYME Database


1. The Human Gene Database (GeneCards®)

Diffraction Data

1. The International Centre for Diffraction Data (ICDD)

Physical Data

1. Index of all databases for Physical Reference Data:

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