6DXK

Glucocorticoid Receptor in complex with Compound 11

Summary for 6DXK

DescriptorGlucocorticoid receptor, (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) (3 entities in total)
Functional Keywordssignaling protein, nuclear hormone receptor, ligand complex, transcription
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight60277.96
Authors
Primary citation
Rew, Y.,Du, X.,Eksterowicz, J.,Zhou, H.,Jahchan, N.,Zhu, L.,Yan, X.,Kawai, H.,McGee, L.R.,Medina, J.C.,Huang, T.,Chen, C.,Zavorotinskaya, T.,Sutimantanapi, D.,Waszczuk, J.,Jackson, E.,Huang, E.,Ye, Q.,Fantin, V.R.,Sun, D.
Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61:7767-7784, 2018
PubMed: 30091920 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b00743
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.05 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.26100.2%00MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report