A Structural Switch between Agonist and Antagonist Bound Conformations for a Ligand-Optimized Model of the Human Aryl Hydrocarbon Receptor Ligand Binding Domain

A Structural Switch between Agonist and Antagonist Bound Conformations for a Ligand-Optimized Model of the Human Aryl Hydrocarbon Receptor Ligand Binding Domain

The aryl hydrocarbon receptor (AHR) is a ligand-activated transcription factor that regulates the expression of a diverse group of genes. Exogenous AHR ligands include the environmental contaminant 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), which is a potent agonist, and the synthetic AHR antagonis...

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Bibliographic Details
Main Authors: Arden Perkins, Jessica L. Phillips, Nancy I. Kerkvliet, Robert L. Tanguay, Gary H. Perdew, Siva K. Kolluri, William H. Bisson
Format: Article
Language:English
Published: MDPI AG 2014-10-01
Series:Biology
Subjects:
aryl hydrocarbon receptor
ligand binding domain
agonist
antagonist
ligand-guided optimization
virtual ligand screening
molecular dynamics
HSP90
Online Access:http://www.mdpi.com/2079-7737/3/4/645

Internet

http://www.mdpi.com/2079-7737/3/4/645

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