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

1. PubChem https://pubchem.ncbi.nlm.nih.gov/

2. Drug Bank https://www.drugbank.ca/

3. KEGG DRUG Database https://www.kegg.jp/kegg/drug/drug_ja.html

4. KEGG COMPOUND Database https://www.kegg.jp/kegg/compound/

5. The Human Metabolome Database (HMDB) https://hmdb.ca/

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

 

1. Cambridge Crystallographic Data Centre (CCDC) https://www.ccdc.cam.ac.uk/

2. Crystallography Open Database (COD) http://www.crystallography.net/cod/

3. Inorganic Crystal Structure Database (ICSD) https://icsd.products.fiz-karlsruhe.de/en

4. Metals Structure Database (CRYSTMET) 

5. Mineral crystal structure database (MCSD)

6. American Mineralogist Crystal Structure Database (AMCSD) http://rruff.geo.arizona.edu/AMS/amcsd.php

7. Mineral Structures Database (MSD) http://ruby.colorado.edu/~smyth/min/minerals.html

8. Mineralogy Database  http://webmin.mindat.org/

9. Raman spectra, X-ray diffraction and chemistry data for minerals RRUFF Database https://rruff.info/

Reticular Chemistry Structure Resources

1. Reticular Chemistry Structure Resource (RCSC) http://rcsr.net/

2. EPINET Database of Nets http://epinet.anu.edu.au/home

3. Database of Zeolite Structures http://www.iza-structure.org/databases/

4. Cambridge Crystallographic Data Centre (CCDC) https://www.ccdc.cam.ac.uk/

5. A tool for geometrical and topological analysis of crystal structures ToposPro https://topospro.com/

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

 

Proteins and Enzymes

1. Protein Data Bank https://www.rcsb.org/

2. Universal Protein Database (UniProt) https://www.uniprot.org/

3. Enzyme Database (BRENDA) https://www.brenda-enzymes.org/

4. KEGG ENZYME Database https://www.kegg.jp/kegg/annotation/enzyme.html

Genes

1. The Human Gene Database (GeneCards®) https://www.genecards.org/

Diffraction Data

1. The International Centre for Diffraction Data (ICDD) http://www.icdd.com/

Physical Data

1. Index of all databases for Physical Reference Data: https://www.nist.gov/pml/productsservices/physical-reference-data

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