Chemical Component Dictionary
Names
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Chemical Component Dictionary
metasource: Fairsharing.org
version: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
CCD
metasource: Fairsharing.org
version: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
Names
More detailed information about this field from each metasource.
Chemical Component Dictionary
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
CCD
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
Names
More detailed information about this field from each metasource.
Chemical Component Dictionary
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
CCD
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
The Chemical Component Dictionary is an external reference file describing all residue and small molecule components found in Protein Data Bank entries. It contains detailed chemical descriptions for standard and modified amino acids/nucleotides, small molecule ligands, and solvent molecules. Each chemical definition includes descriptions of chemical properties such as stereochemical assignments, aromatic bond assignments, idealized coordinates, chemical descriptors (SMILES & InChI), and systematic chemical names.
Description
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The Chemical Component Dictionary is an external reference file describing all residue and small molecule components found in Protein Data Bank entries. It contains detailed chemical descriptions for standard and modified amino acids/nucleotides, small molecule ligands, and solvent molecules. Each chemical definition includes descriptions of chemical properties such as stereochemical assignments, aromatic bond assignments, idealized coordinates, chemical descriptors (SMILES & InChI), and systematic chemical names.
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
Webpage:
http://www.ebi.ac.uk/pdbe-srv/pdbechem/Webpage
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http://www.ebi.ac.uk/pdbe-srv/pdbechem/
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
Licence:
Name: EMBL-EBI Terms of UseLicence name
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EMBL-EBI Terms of Use
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
Licence URL
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http://www.ebi.ac.uk/about/terms-of-use
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
Publications:
Publications
More detailed information about this field from each metasource.
E-MSD: an integrated data resource for bioinformatics
PMID: 14681397
metasource: Fairsharing.org
version: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
Publications
More detailed information about this field from each metasource.
E-MSD: an integrated data resource for bioinformatics
PMID: 14681397
metasource: Fairsharing.org
version: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
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E-MSD: an integrated data resource for bioinformatics
PubMed citations: 31.
31 articles citing: E-MSD: an integrated data resource for bioinformatics
Ranking Enzyme Structures in the PDB by Bound Ligand Similarity to Biological Substrates. PMID:29551288
Searching for bioactive conformations of drug-like ligands with current force fields: how good are we? PMID:29086109
Shining Light on an mGlu5 Photoswitchable NAM: A Theoretical Perspective. PMID:26391742
Citing a Data Repository: A Case Study of the Protein Data Bank. PMID:26317409
Models of protein-ligand crystal structures: trust, but verify. PMID:25665575
Automated identification of crystallographic ligands using sparse-density representations. PMID:25004962
Protein structure databases. PMID:21225378
Structural fragment clustering reveals novel structural and functional motifs in alpha-helical transmembrane proteins. PMID:20420672
Practical application of bioinformatics by the multidisciplinary VIZIER consortium. PMID:20153379
A chemogenomics view on protein-ligand spaces. PMID:19534738
On the origins of enzyme inhibitor selectivity and promiscuity: a case study of protein kinase binding to staurosporine. PMID:19519740
Analysis of proteins with the 'hot dog' fold: prediction of function and identification of catalytic residues of hypothetical proteins. PMID:19473548
Motivated proteins: a web application for studying small three-dimensional protein motifs. PMID:19210785
Data deposition and annotation at the worldwide protein data bank. PMID:19082769
MSDmotif: exploring protein sites and motifs. PMID:18637174
SynechoNET: integrated protein-protein interaction database of a model cyanobacterium Synechocystis sp. PCC 6803. PMID:18315852
Remediation of the protein data bank archive. PMID:18073189
Automatic generation of 3D motifs for classification of protein binding sites. PMID:17760982
A previously unobserved conformation for the human Pex5p receptor suggests roles for intrinsic flexibility and rigid domain motions in ligand binding. PMID:17428317
SNAPPI-DB: a database and API of Structures, iNterfaces and Alignments for Protein-Protein Interactions. PMID:17202171
Crystallographic refinement of ligand complexes. PMID:17164531
The molecular structure of Rv1873, a conserved hypothetical protein from Mycobacterium tuberculosis, at 1.38 A resolution. PMID:17142896
The worldwide Protein Data Bank (wwPDB): ensuring a single, uniform archive of PDB data. PMID:17142228
MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms. PMID:17082206
1.6 A crystal structure of a PA2721 protein from pseudomonas aeruginosa--a potential drug-resistance protein. PMID:16493657
Mitochondrial carriers in the cytoplasmic state have a common substrate binding site. PMID:16469842
The European Bioinformatics Institute's data resources: towards systems biology. PMID:15608238
The EMBL Nucleotide Sequence Database. PMID:15608199
The SYSTERS Protein Family Database in 2005. PMID:15608183
Public web-based services from the European Bioinformatics Institute. PMID:15215339
SCOP database in 2004: refinements integrate structure and sequence family data. PMID:14681400
Tags:
Tags
More detailed information about this field from each metasource.
chemical entity
metasource: Fairsharing.org
version: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
chemical structure
metasource: Fairsharing.org
version: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
classification
metasource: Fairsharing.org
version: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
Tags
More detailed information about this field from each metasource.
chemical entity
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
chemical structure
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
classification
metasource: Fairsharing.orgversion: FAIRsharing.org: CCD; Chemical Component Dictionary; DOI: https://doi.org/10.25504/FAIRsharing.e58gcm; Last edited: Feb. 6, 2020, 1:12 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
chemical entity chemical structure classification
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