1. Search/Browse Molecular Structure Databases
  2. Perform Computations
  3. View/Download Data

Search/Browse Molecular Structure Databases

Macromolecules

Brookhaven Protein Databank (including Molecules R US and PDB At A Glance).
The Nucleic Acid Database (Rutgers Univ.).

Small Molecules

Cambridge Structural Database (including Small Molecules R US- restricted to NIH access).
The Three-dimensional Drug Structure Databank: A browsable collection of small bioactive molecules.
Klotho: Biochemical Compounds Declarative Database (Washington Univ.) --Also see Navigating Metabolic Pathways (Argonne National Laboratory).
Monosaccharide Browser (J. Maber, Leeds).

Perform Computations

Protein Modeling

Swiss-Model-Automated Protein Modelling Server (Manuel C. Peitsch, Glaxo Institute of Molecular Biology, Geneva).

View/Download Data

Three-dimensional Molecular Structures

List of G-Protein Coupled Receptor transmembrane models accessible from the 7TM Database (G. Vriend, EMBL).
Phospholipid membrane models (H. Heller, Ludwig Maximilians University, Munich).

Protein Properties

Amino acids structures and properties (V. Heinau & B. Kirste, Freie Universitat, Berlin).
Amino acids structures for interactive viewing (Sami Raza, Leicester Univ., UK).
Conformations and solvent accessibilities of Residues in Brookhaven Protein Databank (PDB) proteins (Washington Univ.).
Protein Movement Database (M. Gerstein, Stanford Univ.).

Chemical Data

WebElements (M. Winter, Univ. of Sheffield).

Program Scripts

SYBYL SPL Script Library (Curt Breneman, RPI).
SYBYL SPL Script Library (The NIH Guide to Molecular Modeling).