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Protein Organization

Protein Organization

Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
The primary structure of a protein is its amino acid sequence.

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Multi-target Parallel Processing Approach for Gene-to-structure Determination of the Influenza Polymerase PB2 Subunit

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The Pfizer Crystal Structure Database: An essential tool for structure-based design at Pfizer.

Daniel K Gehlhaar¹, Brock A Luty², Philip P Cheung³

¹Pfizer, Inc., San Diego, California, USA.

Journal of Computational Chemistry

|April 8, 2022

Summary

This summary is machine-generated.

Pfizer's Crystal Structure Database (CSDB) provides scientists with rapid access to diverse crystal structures. Automated methods enhance data quality and prepare structures for modeling, aiding drug design.

Keywords:

X-ray crystallography database protein-ligand interactions structure preparation

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Last Updated: Jun 12, 2026

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Area of Science:

Structural biology
Computational chemistry
Drug discovery

Background:

Access to curated crystal structures is crucial for structure-based drug design.
Managing and utilizing large structural datasets presents significant challenges.

Purpose of the Study:

To describe Pfizer's Crystal Structure Database (CSDB) as a resource for structure-based projects.
To highlight the database's capabilities in data management, quality control, and preparation for modeling.

Main Methods:

Centralized storage of in-house and Protein Data Bank (PDB) crystal structures.
Automated annotation, error checking, and data processing algorithms.
REST-based web services for data retrieval and integration with desktop applications.

Main Results:

CSDB offers rapid access to a comprehensive collection of crystal structures.
Automated processing enhances data utility for modeling and design.
Flexible search functionalities enable efficient data discovery.

Conclusions:

CSDB is a valuable enabling technology for accelerating structure-based drug discovery.
The database streamlines access to and preparation of structural data.
Web services facilitate seamless integration into scientific workflows.