A5035170755- Receptor Mechanisms and Signaling
- Mass Spectrometry Techniques and Applications
- Protein Structure and Dynamics
- DNA Repair Mechanisms
- Protein Kinase Regulation and GTPase Signaling
- Carbon dioxide utilization in catalysis
- DNA and Nucleic Acid Chemistry
- Chemical Synthesis and Analysis
- Chemical Reaction Mechanisms
- Neuropeptides and Animal Physiology
- Molecular spectroscopy and chirality
- HIV/AIDS drug development and treatment
- Monoclonal and Polyclonal Antibodies Research
- CO2 Reduction Techniques and Catalysts
- Synthesis and Biological Evaluation
- Computational Drug Discovery Methods
- Advanced biosensing and bioanalysis techniques
- Catalytic C–H Functionalization Methods
- Advanced NMR Techniques and Applications
- Cyclopropane Reaction Mechanisms
- CRISPR and Genetic Engineering
Leipzig University
2019-2024
University of Copenhagen
2023
Tsinghua University
2023
Institute of Biophysics
2023
Stanford Medicine
2023
Freie Universität Berlin
2016-2018
Islamic Azad University Central Tehran Branch
2011-2013
Significance Recent structures of GPCRs in complex with G proteins provide important insights into protein activation by family A and B GPCRs; however, questions remain. We don’t fully understand the mechanism coupling specificity or promiscuity some GPCRs. The β 2 AR preferentially couples to s less efficiently i , yet AR-G has been shown play roles cardiac physiology. To better structural basis for preferential over we used NMR spectroscopy supporting MD simulations study conformational...
Summary G protein-coupled receptors (GPCRs) activate heterotrimeric proteins by stimulating the exchange of guanine nucleotide in Gα subunit. To visualize this mechanism, we developed a time-resolved cryo-EM approach that examines progression ensembles pre-steady-state intermediates GPCR-G protein complex. Using variability analysis to monitor transitions stimulatory Gs complex with β 2 -adrenergic receptor (β AR) at short sequential time points after GTP addition, identified conformational...
In this study, we have used density functional theory to identify a new mechanism for the formation of carboxylate compounds from heteroarenes, such as benzoxazole, in presence copper catalysts. This involves carbene intermediate that is indirectly stabilized by electron-releasing copper. can isomerize experimentally observed resting state catalytic cycle, but it itself has greater reactivity toward CO2 and leads final product via lower-energy pathway. Our findings demonstrate importance...
Abstract Apurinic/apyrimidinic endonuclease 1 (Ape1) is an important metal‐dependent enzyme in the base excision repair mechanism, responsible for backbone cleavage of abasic DNA through a phosphate hydrolysis reaction. Molecular dynamics simulations Ape1 complexed to its substrate performed models containing or 2 Mg 2+ ‐ions as cofactor located at different positions show complex with metal ion bound on leaving group site scissile be most likely reaction‐competent conformation. Active‐site...
<title>Abstract</title> G protein-coupled receptors (GPCRs) activate heterotrimeric proteins by promoting guanine nucleotide exchange. Here, we investigate the process of functional association between and GPCRs describe events that ultimately lead to ejection GDP from its binding pocket in Gα subunit. In atomic detail, reveal temporal progression structural rearrangements GDP-bound Gs protein (GsGDP) upon coupling β2-adrenergic receptor (β2AR) using molecular dynamics simulations. The GsGDP...