Tag: nmr

The Human Metabolome Database (HMDB) is a database containing detailed information about small molecule metabolites found in the human body.It contains or links 1) chemical 2) clinical and 3) molecular biology/biochemistry data.

The Protein Data Bank (PDB) is an archive of experimentally determined three-dimensional structures of biological macromolecules that serves a global community of researchers, educators, and students. The data contained in the archive include atomic ...

The Protein Data Bank in Europe (PDBe) is the European resource for the collection, organisation and dissemination of data on biological macromolecular structures. It is a founding member of the worldwide Protein Data Bank which collects, organises a ...

BMRB collects, annotates, archives, and disseminates (worldwide in the public domain) the important spectral and quantitative data derived from NMR spectroscopic investigations of biological macromolecules and metabolites. The goal is to empower scie ...

The Carbohydrate Structure Database (CSDB) contains manually curated natural carbohydrate structures, taxonomy, bibliography, NMR data and more. The Bacterial (BCSDB) and Plant&Fungal (PFCSDB) databases were merged in 2015, becoming the CSDB, to impr ...

Validated NMR structures of proteins and nucleic acids.

The STAP database contains refined versions of the NMR structures deposited in PDB. These refinements have been performed using statistical torsion angle potential and structurally- or experimentally- derived distance potential. The refined structure ...

Database designed to provide a comprehensive perspective and understanding of RNA motif structure, function, tertiary interactions and their relationships.

An Open Access Knowledge Base for Microbial Natural Products Discovery. The Natural Products Atlas Network views of chemical space. The Natural Products Atlas provides a unique tools for exploring natural products chemical space, offering perspecti ...

The Chemotion-repository is a repository for chemistry research data. The repository was founded at the Karlsruhe Institute of Technology (KIT) in Germany as a project funded by the German Research Foundation. The repository is domain specific, offer ...

EuroCarbDB is a repository of carbohydrate structures, experimental evidence, and carbohydrate-oriented research and analysis tools.

Hydrogen/deuterium exchange data on protein folding and stability

Complex Carbohydrate Magnetic Resonance Database (CCMRD) is a solid-state NMR database for complex carbohydrates. Carbohydrates play key roles in many life activities in living organisms. As an emerging technique with steadily improving resolution, s ...

G-quadruplex Ligands Database

a database for protein-peptide identification based on a hybrid clustering algorithm. PROPEDIA is a database of peptide-protein complexes clusterized in three methodologies: (i) peptide sequences; (ii) structure interface; and (iii) binding sites. P ...

The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method. FMODB: The database of quantum mechanical data based on the FMO method.

DynLib is spectral database containing spectras from LC-MS runs for maize organs in order to investigate the metabolome.

The NP-MRD is a freely available cloud-based, user-friendly, FAIR electronic database. NP-MRD accepts NMR data and associated metadata from newly undertaken NP studies.

SYNBIP is a SBP database that UNIQUE in (a) comprehensively describing thousands of SBPs from the perspectives of scaffolds, biophysical & functional properties, etc.; (b) panoramically illustrating the binding targets & the broad application of each ...

The Automated Topology Builder (ATB) and Repository is intended to facilitate the development of molecular force fields for Molecular Dynamics or Monte Carlo simulations of biomolecular systems. Applications include the study of biomolecule:ligand co ...

Bacterial Carbohydrate Structure Database (BCSDB) stores published data on glycans and glycoconjugates of bacterial and archaean origin. It provides data on structures, bibliography, taxonomy, 1H and 13C NMR spectrum assignment, methods used for stru ...

PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different types of studies, for example, developing machine l ...

Fusarium graminearum Genome Database (FGDB) is a comprehensive genome database on one of the most devastating fungal plant pathogens of wheat and barley. FGDB provides information on two gene sets independently derived by automated annotation of the ...

A relational database for archiving biomolecular NMR spectral data.

A Crowd-Sourced, Natural Product Screening Library for Exploring Biological Space.

An integrative database of diseases related variations in liquid-liquid phase separation proteins.

GPCRmd uncovers the dynamics of the 3D-GPCRome. The online resource for GPCR simulations. GPCRmd is an online platform with web-based visualization capabilities and a comprehensive analysis toolbox that allows scientists from any discipline to visu ...

ConoMode is a database dedicated to collection of the complex 3D structures of conopeptides binding with their target proteins.