5ETH: Rory In Complex With Inverse Agonist 3

RORgamma plays a critical role in controlling a pro-inflammatory gene expression program in several lymphocyte lineages including T cells, gammadelta T cells, and innate lymphoid cells. RORgamma-mediated inflammation has been linked to susceptibility to Crohn's disease, arthritis, and psoriasis. Thus inverse agonists of RORgamma have the potential of modulating inflammation. Our goal was to optimize two RORgamma inverse agonists: T0901317 from literature and 1 that we obtained from internal screening. We used information from internal X-ray structures to design two libraries that led to a new biaryl series.
PDB ID: 5ETHDownload
MMDB ID: 138553
PDB Deposition Date: 2015/11/17
Updated in MMDB: 2016/07
Experimental Method:
x-ray diffraction
Resolution: 2.8  Å
Source Organism:
Similar Structures:
Biological Unit for 5ETH: monomeric; determined by author
Molecular Components in 5ETH
Label Count Molecule
Protein (1 molecule)
Nuclear Receptor Ror-gamma(Gene symbol: RORC)
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB