Nature Communications (May 2018)
Defining a conformational ensemble that directs activation of PPARγ
- Ian M. Chrisman,
- Michelle D. Nemetchek,
- Ian Mitchelle S. de Vera,
- Jinsai Shang,
- Zahra Heidari,
- Yanan Long,
- Hermes Reyes-Caballero,
- Rodrigo Galindo-Murillo,
- Thomas E. Cheatham,
- Anne-Laure Blayo,
- Youseung Shin,
- Jakob Fuhrmann,
- Patrick R. Griffin,
- Theodore M. Kamenecka,
- Douglas J. Kojetin,
- Travis S. Hughes
Affiliations
- Ian M. Chrisman
- Biochemistry and Biophysics Graduate Program, The University of Montana
- Michelle D. Nemetchek
- Biochemistry and Biophysics Graduate Program, The University of Montana
- Ian Mitchelle S. de Vera
- Department of Integrative Structural and Computational Biology, Scripps Florida, The Scripps Research Institute
- Jinsai Shang
- Department of Integrative Structural and Computational Biology, Scripps Florida, The Scripps Research Institute
- Zahra Heidari
- Center for Biomolecular Structure and Dynamics, The University of Montana
- Yanan Long
- Department of Integrative Structural and Computational Biology, Scripps Florida, The Scripps Research Institute
- Hermes Reyes-Caballero
- Department of Integrative Structural and Computational Biology, Scripps Florida, The Scripps Research Institute
- Rodrigo Galindo-Murillo
- Department of Medicinal Chemistry, University of Utah
- Thomas E. Cheatham
- Department of Medicinal Chemistry, University of Utah
- Anne-Laure Blayo
- Department of Molecular Medicine, Scripps Florida, The Scripps Research Institute
- Youseung Shin
- Department of Molecular Medicine, Scripps Florida, The Scripps Research Institute
- Jakob Fuhrmann
- Department of Integrative Structural and Computational Biology, Scripps Florida, The Scripps Research Institute
- Patrick R. Griffin
- Department of Integrative Structural and Computational Biology, Scripps Florida, The Scripps Research Institute
- Theodore M. Kamenecka
- Department of Molecular Medicine, Scripps Florida, The Scripps Research Institute
- Douglas J. Kojetin
- Department of Integrative Structural and Computational Biology, Scripps Florida, The Scripps Research Institute
- Travis S. Hughes
- Center for Biomolecular Structure and Dynamics, The University of Montana
- DOI
- https://doi.org/10.1038/s41467-018-04176-x
- Journal volume & issue
-
Vol. 9,
no. 1
pp. 1 – 16
Abstract
Peroxisome proliferator-activated receptor gamma (PPARγ) is a nuclear receptor. Here the authors provide insights into PPARγ activation by combining fluorine (19F) NMR and molecular dynamics simulations to characterize the nuclear receptor conformational ensemble in solution and the response of this ensemble to ligand and coregulatory peptide binding.
