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Artificial intelligence guided conformational mining of intrinsically disordered proteins
Artificial intelligence recently achieved the breakthrough of predicting the three-dimensional structures of proteins. The next frontier is presented...
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Combined NMR and molecular dynamics conformational filter identifies unambiguously dynamic ensembles of Dengue protease NS2B/NS3pro
The dengue protease NS2B/NS3pro has been reported to adopt either an ‘open’ or a ‘closed’ conformation. We have developed a conformational filter...
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Conformational ensemble-dependent lipid recognition and segregation by prenylated intrinsically disordered regions in small GTPases
We studied diverse prenylated intrinsically disordered regions (PIDRs) of Ras and Rho family small GTPases using long timescale atomistic molecular...
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Direct prediction of intrinsically disordered protein conformational properties from sequence
Intrinsically disordered regions (IDRs) are ubiquitous across all domains of life and play a range of functional roles. While folded domains are...
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A conformational selection mechanism of flavivirus NS5 for species-specific STAT2 inhibition
Flaviviruses, including Zika virus (ZIKV) and Dengue virus (DENV), rely on their non-structural protein 5 (NS5) for both replication of viral genome...
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Map** the conformational landscape of the stimulatory heterotrimeric G protein
Heterotrimeric G proteins serve as membrane-associated signaling hubs, in concert with their cognate G-protein-coupled receptors. Fluorine nuclear...
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ATP-dependent conformational dynamics in a photoactivated adenylate cyclase revealed by fluorescence spectroscopy and small-angle X-ray scattering
Structural insights into the photoactivated adenylate cyclases can be used to develop new ways of controlling cellular cyclic adenosine monophosphate...
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Conformational buffering underlies functional selection in intrinsically disordered protein regions
Many disordered proteins conserve essential functions in the face of extensive sequence variation, making it challenging to identify the mechanisms...
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Magnesium ions mediate ligand binding and conformational transition of the SAM/SAH riboswitch
The SAM/SAH riboswitch binds S-adenosylmethionine (SAM) and S-adenosylhomocysteine (SAH) with similar affinities. Mg 2+ is generally known to...
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Continuous millisecond conformational cycle of a DEAH box helicase reveals control of domain motions by atomic-scale transitions
Helicases are motor enzymes found in every living organism and viruses, where they maintain the stability of the genome and control against false...
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Sub-millisecond conformational dynamics of the A2A adenosine receptor revealed by single-molecule FRET
The complex pharmacology of G-protein-coupled receptors (GPCRs) is defined by their multi-state conformational dynamics. Single-molecule Förster...
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Machine Learning-Based Approaches for Protein Conformational Exploration
Protein dynamics play a significant role from the moment a polypeptide is translated by the Ribosome to the folding process that forms the functional...
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Direct experimental observation of blue-light-induced conformational change and intermolecular interactions of cryptochrome
Cryptochromes are blue light receptors that mediate circadian rhythm and magnetic sensing in various organisms. A typical cryptochrome consists of a...
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Imidazole-amino acids. Conformational switch under tautomer and pH change
Replacement of the main chain peptide bond by imidazole ring seems to be a promising tool for the peptide-based drug design, due to the specific...
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Conformational coupling of redox-driven Na+-translocation in Vibrio cholerae NADH:quinone oxidoreductase
In the respiratory chain, NADH oxidation is coupled to ion translocation across the membrane to build up an electrochemical gradient. In the human...
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Protein conformational dynamics and phenotypic switching
Intrinsically disordered proteins (IDPs) are proteins that lack rigid 3D structure but exist as conformational ensembles. Because of their structural...
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Proton transfer and conformational changes along the hydrogen bond network in heliorhodopsin
Heliorhodopsin releases a proton from the Schiff base during the L-state to M-state transition but not toward the protein bulk surface. Here we...
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Macromolecular conformational changes in photosystem II: interaction between structure and function
Conformational changes play an important role in the functioning of proteins and their complexes. This is also true for the pigment-protein...
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Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase
When overexpressed as an immature enzyme in the mesophilic bacterium Escherichia coli , recombinant homoserine dehydrogenase from the...
