منابع مشابه
SnapShot: GPCR-Ligand Interactions
G-protein-coupled receptors enable cells to recognize numerous external stimuli and to transmit corresponding signals across the plasma membrane to trigger appropriate cellular responses. Crystal structures of a number of these receptors have now been determined in inactive and active conformations bound to chemically and functionally distinct ligands. These crystal structures illustrate overal...
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3 Liang-Hong Zheng, Chang-He Wang, Shu-Jiang Shang, Xiao-Yu Zhang, Ye-Shi 4 Wang, Qi-Hui Wu, Mei-Qin Hu, Zu-Yin Chai, Xi Wu, Hui Zheng, Chen Zhang, 5 Lie-Cheng Wang, Wei Xiong, and Zhuan Zhou 6 7 State Key Laboratory of Biomembrane and Membrane Biotechnology and Beijing Key 8 Laboratory of Cardiometabolic Molecular Medicine and Peking-Tsinghua Center for Life 9 Sciences and PKU-IDG/McGovern Ins...
متن کاملIn Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions
Recently the first community-wide assessments of the prediction of the structures of complexes between proteins and small molecule ligands have been reported in the so-called GPCR Dock 2008 and 2010 assessments. In the current review we discuss the different steps along the protein-ligand modeling workflow by critically analyzing the modeling strategies we used to predict the structures of prot...
متن کاملFrom three-dimensional GPCR structure to rational ligand discovery.
This chapter will focus on G protein-coupled receptor structure-based virtual screening and ligand design. A generic virtual screening workflow and its individual elements will be introduced, covering amongst others the use of experimental data to steer the virtual screening process, ligand binding mode prediction, virtual screening for novel ligands, and rational structure-based virtual screen...
متن کاملClass-B GPCR activation: is ligand helix-capping the key?
The class B family of G-protein-coupled receptors (GPCRs) regulates essential physiological functions such as exocrine and endocrine secretions, feeding behaviour, metabolism, growth, and neuro- and immuno-modulations. These receptors are activated by endogenous peptide hormones including secretin, glucagon, vasoactive intestinal peptide, corticotropin-releasing factor and parathyroid hormone. ...
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ژورنال
عنوان ژورنال: Cell
سال: 2014
ISSN: 0092-8674
DOI: 10.1016/j.cell.2014.12.008