8FB2
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET
Summary for 8FB2
Entry DOI | 10.2210/pdb8fb2/pdb |
Descriptor | Nuclear receptor ROR-gamma, (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione, 4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid, ... (4 entities in total) |
Functional Keywords | rorc2, rorgammat, structure-based design, macrocyclization, topical delivery, dna binding protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 62235.22 |
Authors | |
Primary citation | Schnute, M.E.,Trujillo, J.I.,Lee, K.L.,Unwalla, R.,Vajdos, F.F.,Kauppi, B.,Nuhant, P.,Flick, A.C.,Crouse, K.K.,Zhao, Y.,Samuel, A.,Lombardo, V.,Taylor, A.P.,Brault, A.L.,Knafels, J.D.,Vazquez, M.L.,Berstein, G. Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists. Acs Med.Chem.Lett., 14:191-198, 2023 Cited by PubMed: 36793423DOI: 10.1021/acsmedchemlett.2c00500 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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