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Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1
Given the promising clinical value of allosteric modulators of G protein-coupled-receptors (GPCRs), mechanistic understanding of how these modulators...
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A helical fulcrum in eIF2B coordinates allosteric regulation of stress signaling
The integrated stress response (ISR) enables cells to survive a variety of acute stresses, but chronic activation of the ISR underlies age-related...
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Advances of Predicting Allosteric Mechanisms Through Protein Contact in New Technologies and Their Application
Allostery is an intriguing phenomenon wherein the binding activity of a biological macromolecule is modulated via non-canonical binding site,...
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Allosteric Modulators of Adenosine Receptors
Allosterism occurs when a ligand binds to a receptor on a binding site distinct from the orthosteric one to which endogenous ligand normally binds....
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Ligand recognition and allosteric modulation of the human MRGPRX1 receptor
The human MAS-related G protein–coupled receptor X1 (MRGPRX1) is preferentially expressed in the small-diameter primary sensory neurons and involved...
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Chemical screening by time-resolved X-ray scattering to discover allosteric probes
Drug discovery relies on efficient identification of small-molecule leads and their interactions with macromolecular targets. However, understanding...
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An allosteric redox switch involved in oxygen protection in a CO2 reductase
Metal-dependent formate dehydrogenases reduce CO 2 with high efficiency and selectivity, but are usually very oxygen sensitive. An exception is Desulfov...
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Targeting allosteric regulation of cancer metabolism
Metabolic reprogramming is observed across all cancer types. Indeed, the success of many classic chemotherapies stems from their targeting of cancer...
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Design of allosteric sites into rotary motor V1-ATPase by restoring lost function of pseudo-active sites
Allostery produces concerted functions of protein complexes by orchestrating the cooperative work between the constituent subunits. Here we describe...
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Target recognition-initiated allosteric probe-based multiple signal amplification strategy for sensitive and direct Pseudomonas aeruginosa detection
Pseudomonas aeruginosa ( P. aeruginosa ), a kind of gram-negative pathogenic bacteria, are causative agents of severe infections, such as lower...
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Structure-based drug design and molecular dynamics studies of an allosteric modulator targeting the protein–protein interaction site of PDK1
ContextProtein–protein interaction interfaces play a major role in cell signaling pathways. There is always a great interest in develo**...
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Discovery of a novel SHP2 allosteric inhibitor using virtual screening, FMO calculation, and molecular dynamic simulation
ContextSHP2 is a non-receptor protein tyrosine phosphatase to remove tyrosine phosphorylation. Functionally, SHP2 is an essential bridge to connect...
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Allosteric Modulation for Widely Spread Orthologous Tyrosinase Enzyme by Short Peptidyl-Urea Analogue: Facile Syntheses of Spiro Compounds
The present work demonstrates the development of an efficient catalytic hybrid model (Tyr-SS2) to synthesize various spiro-oxindoles derivatives. We...
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Allosteric probe initiated triple signal recycles for sensitive analysis of adenosine triphosphate (ATP)
Adenosine triphosphate (ATP) is closely associated with a variety of pathophysiological process, providing energy for cell activities. However, it...
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Selective inhibitors of JAK1 targeting an isoform-restricted allosteric cysteine
The Janus tyrosine kinase (JAK) family of non-receptor tyrosine kinases includes four isoforms (JAK1, JAK2, JAK3, and TYK2) and is responsible for...
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Mass spectrometry captures biased signalling and allosteric modulation of a G-protein-coupled receptor
G-protein-coupled receptors signal through cognate G proteins. Despite the widespread importance of these receptors, their regulatory mechanisms for...
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Live-cell target engagement of allosteric MEKi on MEK–RAF/KSR–14-3-3 complexes
The RAS–mitogen-activated protein kinase (MAPK) pathway includes KSR, RAF, MEK and the phospho-regulatory sensor 14-3-3. Specific assemblies among...
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Decrypting a cryptic allosteric pocket in H. pylori glutamate racemase
One of our greatest challenges in drug design is targeting cryptic allosteric pockets in enzyme targets. Drug leads that do bind to these cryptic...
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Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria
Bacteria have evolved resistance to nearly all known antibacterials, emphasizing the need to identify antibiotics that operate via novel mechanisms....
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Filling of a water-free void explains the allosteric regulation of the β1-adrenergic receptor by cholesterol
Recent high-pressure NMR results indicate that the preactive conformation of the β 1 -adrenergic receptor (β 1 AR) harbours completely empty cavities of...
