Efficient Crystallization of Apo Sirt2 for Small-Molecule Soaking and Structural Analysis of Ligand Interactions

The selectivity pocket is a key binding site for inhibitors of the NAD<sup>+</sup>-dependent lysine deacylase Sirtuin 2 (Sirt2), a promising drug target in diseases like cancer. While small-molecule soaking can advance inhibitor development, the selectivity pocket is absent in available...

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Bibliographic Details
Main Author:	Florian Friedrich (17304380) (author)
Other Authors:	Matthias Schiedel (1399321) (author), Sören Swyter (3930095) (author), Lin Zhang (8926) (author), Wolfgang Sippl (169574) (author), Mike Schutkowski (135091) (author), Oliver Einsle (765955) (author), Manfred Jung (26925) (author)
Published:	2025
Subjects:	Biophysics Biochemistry Medicine Cell Biology Molecular Biology Pharmacology Biotechnology Cancer Chemical Sciences not elsewhere classified unfavorable crystal packing promising drug target lysine channel entrance diseases like cancer free apo structure peptide inhibitor kt9 key binding site cofactor binding site advance inhibitor development sirtuin rearranging ligand sirt2 apo crystals rapidly generate high open selectivity pocket fragment library using hinders ligand binding selectivity pocket apo sirt2 inhibitor structures inhibitor optimization sirt2 ), ligand interactions throughput soaking structural analysis molecule soaking maybridge ro3 efficient crystallization accommodate ligands
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Efficient Crystallization of Apo Sirt2 for Small-Molecule Soaking and Structural Analysis of Ligand Interactions

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