Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.

Publication Type:

Journal Article

Source:

J Med Chem (2018)

Abstract:

<p>Four crystal structures are presented of histone deacetylase 6 (HDAC6) complexes with para-substituted phenylhydromaxamate inhibitors, including bulky peptoids. These structures provide insight regarding the design of capping groups that confer selectivity for binding to HDAC6, specifically with regard to interactions in a pocket formed by the L1 loop. Capping group interactions may also influence hydroxamate-Zn coordination with monodentate or bidentate geometry.</p>

PDB: 
HDAC6 complexes with inhibitors 1, 2, 3, and 4 with accession codes 6DVL, 6DVM, 6DVN, and 6DVO, respectively.
Detector: 
EIGER
Beamline: 
24-ID-E