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Zhou XE Suino-Powell KM Xu Y Chan CW Tanabe O Kruse SW Reynolds R Engel JD Xu HE 《The Journal of biological chemistry》2011,286(4):2877-2885
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The constitutive androstane receptor (CAR) possesses, unlike most other nuclear receptors, a pronounced basal activity in vitro whose structural basis is still not fully understood. Using comparative molecular dynamics simulations of CAR X-ray crystal structures, we evaluated the molecular basis for constitutive activity and ligand-dependent receptor activation. Our results suggest that a combination of van der Waals interactions and hydrogen bonds is required to maintain the activation helix in the active conformation also in absence of a ligand. Furthermore, we identified conformational rearrangements within the ligand-binding pocket upon agonist binding and an influence of CAR inducers pregnanedione and CITCO on the helical conformation of the activation helix. Based on the results a model for ligand-dependent CAR activation is suggested. 相似文献
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Slagsvold T Kraus I Bentzen T Palvimo J Saatcioglu F 《Molecular endocrinology (Baltimore, Md.)》2000,14(10):1603-1617
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