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Nanomedicine Summit 2008

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Science Functional Genomics Resources
Protein Structure and Function


Databases and Search Engines
Specialized Structures/Searches
Images and Molecular Motion
Utilities and Software





Databases and Search Engines

3D-Ali -- Database of aligned protein structures and related sequences

3Dee -- Protein domain definition

AGADIR -- Predicts the helical content of peptides

ALIGN -- Compendium of protein sequence alignments

ASTRAL -- Databases and tools for analyzing protein structures and sequences. Partially derived from the Structural Classification of Proteins (SCOP) database

Backbone-Dependent Rotamer Libraries -- Rotameric states of protein side chains. Used for analyses by Protein Sidechain Webpage

Biomolecular Interaction Network Database (BIND) -- Database at the Samuel Lunenfeld Research Institute that aims to encompass "the growing network of protein and other biomolecular interactions."

BioImage -- Searchable database of multidimensional biological images (macromolecules and cellular structures)

Biotech Validation Suite -- Protein structure verification

BLAST (GenomeNet)

BLAST (NCBI)

BLOCKS -- database of conserved regions in protein sequences

BMM Domain Assignment -- Tool for assigning domains based on sequence and published data

CAMbridge database of Protein Alignments organised as Structural Superfamilies (CAMPASS) -- Collection of sequence alignments of protein (domain)s that belong to superfamilies, as defined by SCOP

CATH -- Protein structure classification based on hierarchy of class(C), architecture(A), topology(T) and homologous superfamily (H)

COGs -- NCBI Clusters of Orthologous Groups (of proteins)

COILS -- Prediction of coiled coil regions in proteins

Combinatorial Extension -- 3-D Protein structure comparison and alignment of two sequences using Protein Data Bank (PDB)

DALI -- compares protein structures in 3D using coordinates of a query protein structure against those in the Protein Data Bank (PDB)

DAS -- Transmembrane helix prediction

DNA-Binding Protein Full Search -- Search of the nucleic acid database to find protein-DNA strcutures

DSSP -- Database of secondary structure assignments for all proteins in the Protein Data Bank (PDB)

Enzyme Structures Database -- Database of enzyme structures from the PDB

Family Pairwise Search (FPS) -- a mechanism for comparing a protein sequence against a family of sequences or structures in the SCOP, Pfam or PROSITE databases

Finding 3D Similarity -- identifies 3D structures using combinatorial extension and compound likeness

FSSP -- Protein fold classification database based on structure-structure alignment of proteins. Contains structural all-against-all alignments for PDB

HSSP -- database of protein secondary structures derived by aligning to each protein of known structure all sequences deemed homologous

IDEAS

Library of Protein Family Cores -- Structural alignments of protein families and computed average core structures for each family. Categorized according to spatial variation values

Macromolecular Structure Database -- database of quaternary structures

ModBase -- database of comparative proteins structure models

Modules -- Information and research tools on mobile protein domains

Molecular Modelling Database (MMDB) -- searchable structural database of over 10,000 domains of macromoles

Molecules R Us -- Tool for accessing molecular structure data contained within the Brookhaven Protein Data Bank (PDB)

MOTIF

NRL 3D Structure Database -- produced by PIR from sequence and annotation information in the Protein Databank (PDB)

OLDERADO -- database of the core atoms, domains and representative structures from all current NMR-derived protein structures in the PDB

OWL -- Non-redundant composite protein database of 4 publicly-available primary sources: SWISS-PROT, PIR (1-3), GenBank (translation), and NRL-3D.

PairCoil -- predicts the location of coiled-coil regions within protein or peptide sequence

PDB at a Glance -- classification of the current release of the Brookhaven Protein Databank (PDB) with links to relevant data

PDBSUM -- Summaries and structural analyses of PDB files

Pfam -- database of multiple protein sequence alignments and hidden Markov models covering many common protein domains

Pratt Pattern Discovery -- searches for patterns conserved in a set of protein sequences. User can specify type of pattern searched for, and number of matches to be reported

PredictProtein -- Protein sequence analysis and structure prediction

PRINTS -- database of conserved motifs used to characterise a protein family

PRODOM -- database of protein domains

PROSITE -- Database of protein families and domains

Protein Data Bank (PDB) -- databank of 3D protein structures primarily determined experimentally by X-ray crystallography and NMR

PROSPECT

Protein Loop Classification

Protein-Protein Interface Database -- Database of all protein-protein interfaces present in the PDB

ProtFam -- Classification by protein (super)family and homology domains. Multiple alignments for superfamilies, families, and domains.

Protein Sidechain Webpage -- Includes backbone-independent and backbone-dependent rotamer libraries and a program for making sidechain conformation predictions for proteins

Protein Structure Initiative -- Structural Genomics Project that aims to determine the 3D structure of all proteins

Protein Structure Prediction Center

ProtoCall - Search engine for protein identification from MS data (requires Internet Explorer 5.5 or higher).

ReLiBase -- Receptor-ligand complex database

RESID -- protein post-translational modifications with descriptive, chemical, structural and bibliographic information

ScanProsite

SCRate -- Tool to evaluate the accuracy of alignment of protein sequences with very low sequence identity

Sequence and Structure Searching Site

SLoop Database

SSCP -- Predicts secondary structural content from amino acid composition

Structural Classification of Proteins (SCOP) -- aims to describe structural and evolutionary relationships between proteins whose structure is known. Provides a broad survey of all known protein folds

Swiss-Model -- Automated comparative protein structure modelling

Swiss-Prot 3DCrunch Database -- Tool for searching through 3D protein structures automatically generated from the Swiss-Prot database

Teiresias -- Identifies patterns in protein sequences

TMHMM -- Transmembrane helix prediction

TOP Structural Similarity Searches -- Search for structural similarity using SCOP database.

TOP 3D Similarity Searches -- Search for 3D structure similarity using PDB information

TOPS -- Protein topology database

UCLA-DOE Structure Prediction Server

WD-repeat Family of Proteins -- proteins that contain four or more copies of the tryptophan-aspartate repeat

X-Ray Anomalous Scattering Database -- Introductory tutorial to anomalous scattering in X-ray crystallography.




Specialized Structures/Searches

Atlas of Side-Chain and Main-Chain Hydrogen Bonding

BRENDA -- Enzyme functional database

CAZy -- Structures of enzymes acting on carbohydrates.

EMBL Virus Structure Resource

Enzymes and Metabolic Pathways

FANS

HIV Protease Databank -- Databank of 3D structures of proteases/complexes of HIV1, HIV2, and SIV

ImMunoGeneTics (IMGT) -- Integrated database of immunoglobulins (Ig), T cell receptors (TcR), and Major Histocompatibility Complex (MHC) molecules of all vertebrate species. Includes structures, chromosomal location, RFLPs, and expression

Klotho -- Declarative database of biochemical compounds

Ligand-Protein Contacts and Contacts of Structural Units

MEROPS -- Protease information database

Metalloprotein Database -- quantitative information on metal containing structures in the PDB database

Prolysis -- Web resource of natural or synthetic inhibitors of proteases

Prosthetic Groups and Metal Ions in Protein Active Sites (PROMISE) Database -- Database of information about prosthetic groups that bind metal ions

Protein Kinase Resource -- Structural and computational analyses on protein kinases

PSORT -- Predicts protein localization sites in cells

Protein Domain Profile Analysis -- Search a protein sequence across a library of functional domain profiles




Images and Molecular Motion

Atlas of Protein Side-Chain Interactions -- depicts how amino acid side-chains fit within the known protein structures

Biomolecular Morphing in seconds with LSQMAN (Uppsala Software Factory)

Chime Plug-In -- Free interactive molecule visualization tool

Database of Interacting Proteins

Database of Macromolecular Movements

Dynamic Domain Analysis (DynDom)

Eric Martz's Chime Movie Page

IMB-JENA Image Library - provides visual interface to all structure entries deposited at the Protein Data Bank (PDB) or at the Nucleic Acid Database (NDB)

LPFC

PDB Highlight -- simple Chime-based tool for visualizing PDB proteins

Protein Explorer -- Chime-driven site for visual explorations of protein structure

Protein Movies in Australia

STING -- tool for the online display of macromolecular structure information

Swiss-3D Image -- images of biological macromolecules with known three-dimensional structure




Utilities and Software

Utilities
Biological Macromolecular Crystallization Database (BMCD) -- contains crystal data and conditions for crystallizing macromolecules.
CINEMA -- Interactive sequence alignment editor
GRASS -- Molecular graphics for scientists without training in molecular graphics software or access to graphics equipment
HOMSTRAD -- homologous structure alignments viewed with Rasmol
InterPro -- Utility for accessing and comparing information in secondary protein databases on functional sites and domains like PROSITE, PRINTS, Pfam, and PRODOM
Macromolecular Crystallographic Information File (mmCIF) -- Utilities for working with crystallography information
Mascot -- uses mass spectrometryinformation to identify proteins from primary sequence databases
PDB 3D Browser -- View PDB 3D structures online
PDBLite -- Utility for non-specialists to search PDB 3D coordinates
PDBObsolete -- Archive of obsolete PDB entries
PRESAGE -- Tool for tracking structures of proteins of interest
ProtoMap -- Hierarchical classification of proteins in the SWISSPROT and TrEMBL databases
SBASE -- Protein domain library and structure prediction
Sequence Logos
SignalP -- Predicts signal peptide cleavage sites in amino acid sequences of Gram-positive prokaryotes, Gram-negative prokaryotes, and eukaryotes
UMBER -- Tools for accessing PRINTS and OWL
Software
Chime -- Netscape/Internet Explorer plug-in for 3D structure viewing
CN3D structure viewer -- Browser tool for viewing 3D molecular structures
Domid -- A program to identify domains in proteins
Kinemage -- 3D rendering and viewing
MEME -- Identify motifs in groups of protein or DNA sequences
MidasPlus -- Molecular display and simulation
MolMol -- Molecular display and analysis, especially for NMR (Unix and Windows NT)
MolView Mac program to display ribbon, CPK, stick, ball & stick, and surface figures
MovieMol -- Visualization and animation of molecular structures. Works on SGI and IBM RISC/6000 workstations, DOS, or Linux
PDB3D -- Java tool for viewing PDB files in 3D
PovRay -- Ray-tracing software available for many platforms
Protein Explorer -- tool for viewing/manipulating molecules in 3D
Protein Crystallography WWW Software Services -- Software downloads
RasMol -- 3D viewer (being replaced by Protein Explorer)
Raster3D -- Tools for generating raster images of proteins or other molecules
Swiss PDBviewer -- application that allows one to view several proteins at the same time
WebLab -- Web-based program for interacting with genomics databases

 




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