New Chemical Sketch Tool

11/17

Use the new Chemical Sketch Tool to build chemical drawings to search for small molecules in the PDB

Use the Chemical Sketch Tool to draw or edit a molecule, then use the resulting SMILES or InChI string to search for matching molecular definitions in the PDB Chemical Component Dictionary.

This tool uses the web-based chemical drawing tool Marvin JS from ChemAxon to compose chemical sketches for chemical similar and substructure searches. Documentation is available.

Access the Chemical Sketch Tool from the top Search menu or from Advanced Search in the Chemical Search options.

News Index

• 12/24 Season's Greetings

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• 11/17 New Chemical Sketch Tool

• 11/15 Congratulations Mickayla!

• 11/09 New Flyer: SARS-CoV-2 Genome and Proteins

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• 10/29 Truth Sometimes Triumphs: A History of Structural Enzymology

• 10/28 Celebrating PDB and Rutgers Structural Biologists

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• 10/12 wwPDB News: Biocurator Milestone: >10,000 Depositions Processed

• 10/11 Video: Celebrating PDB50

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• 10/05 Structural Biology and Nobel Prizes

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• 10/03 Fall Newsletter Published

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• 09/24 wwPDB News: PDBx/mmCIF data files to include PI information

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• 09/14 wwPDB News: Improved Access to Chemical Component Definitions and Archive Inventories

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• 09/07 Explore Ligand Quality

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• 08/01 wwPDB News: Extended PDB IDs and PDB DOIs now available in PDBx/mmCIF files

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• 07/26 wwPDB News: PDBx/mmCIF data files to include PI information

• 07/20 Integrating PDB Data with Glycosylation Resources

• 07/16 Open Access and Structure Prediction

• 07/15 Summer Newsletter Published

• 07/13 Explore Genome-Protein Relationships

• 07/06 Molecular Landscapes

• 07/06 wwPDB News: Mol* Viewer: modern web app for 3D visualization and analysis of large biomolecular structures

• 06/29 Sequence Redundancy Statistics

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• 06/22 wwPDB News: PDB50 at ACS August 25

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• 06/15 Paper Published

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• 06/08 Scientific Software Developers and Postdocs

• 06/07 Open Access and Structure Prediction

• 06/01 wwPDB News: Consistent Format for Validation and Coordinate Data

• 06/01 Education Corner: Exploring the Structure-Function Relationship

• 05/30 wwPDB News: Modifications to support for SHEET and ligand SITE records in June 2021

• 05/25 wwPDB News: How the Protein Data Bank Changed Biology

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• 04/27 Explore the History of the PDB

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• 04/20 wwPDB News: Future Planning: Entries with extended PDB and CCD ID codes will be distributed in PDBx/mmCIF format only

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• 03/31 wwPDB News: Improved support for extended PDBx/mmCIF structure factor files

• 03/29 wwPDB News: OneDep highlights curated assemblies for review in Mol*

• 03/23 Molecular Landscapes: E. coli

• 03/16 wwPDB News: Modifications to support for SHEET and ligand SITE records in June 2021

• 03/15 wwPDB News: Enhanced Validation of Small-Molecule Ligands and Carbohydrates

• 03/09 Calculate Pairwise Structure Alignments

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• 03/02 More than 1,000 SARS-CoV-2 Coronavirus Protein Structures Available

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• 01/26 Powerful New Tools for Exploring 3D Structures

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• 01/12 wwPDB News: wwPDB EM Validation Reports Now Publicly Available

• 01/11 Winter Newsletter Published

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