LXRα activation and Raf inhibition trigger lethal lipotoxicity in liver cancer
Ramona Rudalska(University of Tübingen), Jule Harbig(University of Tübingen), Marteinn T. Snaebjornsson(University of Würzburg), Liudmyla Taranets(University of Tübingen), Florian Heinzmann(University of Tübingen), Stefan Zwirner(University of Tübingen), Thales Kronenberger(University of Tübingen), Martina Hinterleitner(University of Tübingen), Wei Cui(University of Tübingen), Sabrina Klotz(University of Tübingen), Michael Förster(University of Tübingen), Werner Schmitz(University of Würzburg), Tae-Won Kang(Heidelberg University), Antti Poso(University of Eastern Finland), Stefan Laufer, Mathias T. Rosenfeldt(Universitätsklinikum Würzburg), Nissar P. Malek, Michael Bitzer, Bernd J. Pichler, Nikita Popov, Almut Schulze(Comprehensive Cancer Center Mainfranken), Lars Zender, Daniel Dauch
Cited by 0Open Access
Abstract
Data related to the publication: LXRα activation and Raf inhibition trigger lethal lipotoxicity in liver cancer. The files include raw trajectory files (three replicates REP1 - 3) of the Desmond MD simulations of sorafenib within the ligand binding pocket of LXRalpha (PDB ID: 3IPS) and LXRbeta (PDB ID: 1PQ6), as well as in the AF-2 groove for both LXRalpha (PDB ID: 3IPS) and LXRbeta (PDB ID: 3L0E). One extra simulation of sorafenib on the LXRbeta's AF-2 region (PDB ID: 1PQ6) was tested and is presented. (trajectory format is out.cms and the full trj files, Schrödinger, LLC, New York, NY, 2018, mor details on the extended methods of the publication)
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