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Structure paper

TitleConformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 14409-14423, Year 2022
Publish dateMay 2, 2022 (structure data deposition date)
AuthorsAtigadda, V.R. / Kashyap, M.P. / Yang, Z. / Chattopadhyay, D. / Melo, N. / Sinha, R. / Belyaeva, O.V. / Chou, C.F. / Chang, P.L. / Kedishvili, N.Y. ...Atigadda, V.R. / Kashyap, M.P. / Yang, Z. / Chattopadhyay, D. / Melo, N. / Sinha, R. / Belyaeva, O.V. / Chou, C.F. / Chang, P.L. / Kedishvili, N.Y. / Grubbs, C.J. / Renfrow, M.B. / Muccio, D.D. / Elmets, C.A. / Athar, M.
External linksJ. Med. Chem. / PubMed:36318154
MethodsX-ray diffraction
Resolution1.88 - 2.1 Å
Structure data

PDB-7uw2:
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-7uw4:
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-OI2:
(2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid

ChemComp-HOH:
WATER

ChemComp-OI5:
(2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Retinoid X Receptor / Retinoid X Receptor alpha / ligand binding domain / Coactivator complex / Inhibitor complex

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