Links to Databases
From DrugPedia: A Wikipedia for Drug discovery
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Revision as of 09:30, 24 October 2011
| Name of databases | Description | Reference | URL | Download |
| PDB | Protein Data Bank (PDB) is a archive contains information about experimentally-determined structures of proteins, nucleic acids, and complex assemblies. | |||
| PDBsum | PDBsum is a database of mainly pictorial summaries of the 3D structures of proteins and nucleic acids in the Protein Data Bank. | |||
| PDBFINDER | The PDBFINDER database provides an easy to interpret file containing summary information about all Protein Data Bank files. | |||
| DSSP | DSSP is a Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features. | |||
| PFAM | Pfam is a database of protein families that includes their annotations and multiple sequence alignments generated using hidden Markov models. | |||
| PDIDB | PDIdb (Protein-DNA Interface database) is a repository containing relevant structural information of Protein-DNA complexes solved by X-Ray cristallography and available at the Protein Data Bank (PDB). | |||
| SCOP | The Structural Classification of Proteins (SCOP) database is a manual classification of protein structural domains for the investigation of sequences and structures. | |||
| CATH | CATH is a manually curated classification of protein domain structures. | |||
| PCDB | PCDB is a database of protein conformational diversity. For each protein, the database contains the redundant compilation of all the corresponding crystallographic structures obtained under different conditions. | |||
| OCA | OCA is a browser-database for protein structure/function. | |||
| PDBe | Protein Data Bank in Europe (PDBe) is the the collection, management and distribution of data about macromolecular structures, derived from the Protein Data Bank (PDB). | |||
| MMDB | It is annotating protein sequences with Entrez's 3D-structure database. | |||
| fireDB | fireDB is a database of PDB structures and their associated ligands. | |||
| SCOPOI | It is a database of all domain-domain interactions and their interfaces derived from PDB structure files and SCOP domain definitions. | |||
| DIP | Datbase of Interacting Proteins (DIP) is a database of experimentally determined interactions between proteins. | |||
| PDB_REDO | A databank with updated and optimised macromolecular X-ray diffraction structure models. | |||
| Het-PDB Navi | Database contains 4,189 types of small molecules that interact with proteins | |||
| Ligand Expo | Ligand Expo includes chemical descriptions for about 4600 small molecules that are part of the structures deposited with the PDB. | |||
| SuperSite | The main data is made up of 8000 metabolites including 1300 drugs, bound to about 290,000 different receptor binding sites. | |||
| PDB-Ligand | Currently, PDB-Ligand holds 4870 different types of ligands, extracted from 116,019 ligand-binding structures derived from about 25 000 PDB entries. | |||
| SuperLigands | SuperLigands is an encyclopedia that is dedicated to a ligand oriented view of the protein structural space: it contains 10085 different ligands and 401300 total number of instances in PDB files. | |||
| Binding MOAD | Binding MOAD currently contains: 13,138 Protein-Ligand Structures, 4,146 Structures with Binding Data, 6,210 Different Ligands. | |||
| PLID | Protein Ligand Interaction (PLID): contains 6295 ligands bound to proteins extracted from the protein data bank (PDB). | |||
| sc-PDB | t contains 8187 entries, 2638 proteins and 4231 ligands. | |||
| AffinDB | AffinDB currently contains over 730 affinity entries covering more than 450 different protein-ligand complexes. | |||
| ChEMBLdb | ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). | |||
| KEGG | KEGG: Kyoto Encyclopedia | |||
| HMDB | The Human Metabolome Database (HMDB) | |||
| SMPDB | Small Molecule Pathway Database (SMPDB) | |||
| DrugBank | DrugBank: contains nearly 4800 drug entries including >1,350 FDA-approved small molecule drugs, 123 FDA approved biotech (protein/peptide) drugs, 71 nutraceuticals and >3,243 experimental drugs. | |||
| PubChem | PubChem is a database of chemical molecules, maintained by the National Center for Biotechnology Information (NCBI). | |||
| TTD | Therapeutic Target Database (TTD)includes information about 348 successful, 292 clinical trial and 1254 research targets, 1514 approved, 1212 clinical trial and 2302 experimental drugs linked to their primary targets (3382 small molecule and 649 antisense drugs with available structure and sequence) | |||
| T3DB | Toxin and Toxin Target Database (T3DB): Currently houses over 2900 toxins described by over 34 200 synonyms, including pollutants, pesticides, drugs, and food toxins. |
