Updated Search for Alternative Unit Cells

Since 2014 SAUC1 has provided a search engine to find crystallographic unit cells similar to a given probe cell. The data for the version available on the LRL_WEB, Lattice Representation Library Tool Web Page2, has been updated to report on 191,000 Protein Data Bank macromolecular unit cells and 434,000 small molecule unit cells from the Crystallography Open Database for a searchable database of over 625,000 small molecule and macromolecular unit cells. The update was done in February 2025. The search copes well with complex boundary cases and will be updated approximately semi-annually. A sample of a search for the cells in the vicinity of the chymotrypsinogen cell from PDB entry 7KTY3 is attached.

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Publication Details

Journal
Structural Dynamics
Published
2025-09-01
DOI
https://doi.org/10.1063/4.0000890
Primary Topic
Enzyme Structure and Function
Type
article
Field-Weighted Citation Impact
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article

Updated Search for Alternative Unit Cells

Structural Dynamics
Enzyme Structure and Function
article

Updated Search for Alternative Unit Cells

article en

Abstract

Since 2014 SAUC1 has provided a search engine to find crystallographic unit cells similar to a given probe cell. The data for the version available on the LRL_WEB, Lattice Representation Library Tool Web Page2, has been updated to report on 191,000 Protein Data Bank macromolecular unit cells and 434,000 small molecule unit cells from the Crystallography Open Database for a searchable database of over 625,000 small molecule and macromolecular unit cells. The update was done in February 2025. The search copes well with complex boundary cases and will be updated approximately semi-annually. A sample of a search for the cells in the vicinity of the chymotrypsinogen cell from PDB entry 7KTY3 is attached.

Structural DynamicsVol. 12(5_Supplement)
Fresh Pond Research Institute (US), Ronin Institute (US)
Openalex Percentile: Top 57%
Enzyme Structure and Function
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