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TitleDeveloping Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
Journal, issue, pagesJ. Mol. Biol., Vol. 427, Page 924-942, Year 2015
Publish dateJan 5, 2015 (structure data deposition date)
AuthorsKhan, J.A. / Camac, D.M. / Low, S. / Tebben, A.J. / Wensel, D.L. / Wright, M.C. / Su, J. / Jenny, V. / Gupta, R.D. / Ruzanov, M. ...Khan, J.A. / Camac, D.M. / Low, S. / Tebben, A.J. / Wensel, D.L. / Wright, M.C. / Su, J. / Jenny, V. / Gupta, R.D. / Ruzanov, M. / Russo, K.A. / Bell, A. / An, Y. / Bryson, J.W. / Gao, M. / Gambhire, P. / Baldwin, E.T. / Gardner, D. / Cavallaro, C.L. / Duncia, J.V. / Hynes, J.
External linksJ. Mol. Biol. / PubMed:25579995
MethodsX-ray diffraction
Resolution2.4 - 3.14 Å
Structure data

PDB-4s0s:
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN with ADNECTIN-1
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4s0t:
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND WITH ADNECTIN-1 AND COMPOUND-1
Method: X-RAY DIFFRACTION / Resolution: 3.14 Å

PDB-4xhd:
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-40U:
N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM / pregnane X receptor / PXR / ligand binding domain / steroid receptor coactivator-1; CCR1 / Chemokine Receptor-1; NR / nuclear receptor; AF / activation function; CYP / cytochrome P450; MDR1 / multi-drug resistance gene-1 / TRANSCRIPTION / NUCLEAR RECEPTOR / MULTIPLE BINDING MODES / XENOBIOTIC / PROMISCUOUS / NUCLEAR HORMONE RECEPTOR / Chemokine Receptor-1; Adnectin NR / multi-drug resistance gene-1.

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