Results 61 to 70 of about 79,838 (161)
Quantifying Correlations Between Allosteric Sites in Thermodynamic Ensembles [PDF]
Journal of Chemical Theory and Computation, 2009 Allostery describes altered protein function at one site due to a perturbation at another site. One mechanism of allostery involves correlated motions, which can occur even in the absence of substantial conformational change. We present a novel method, "MutInf", to identify statistically significant correlated motions from equilibrium molecular ...
Christopher L, McClendon +4 more
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Studying early structural changes in SOS1 mediated KRAS activation mechanism
Current Research in Structural BiologyKRAS activation is known to be modulated by a guanine nucleotide exchange factor (GEF), namely, Son of Sevenless1 (SOS1). SOS1 facilitates the exchange of GDP to GTP thereby leading to activation of KRAS.
Kirti Bhadhadhara +4 more
doaj +1 more source
A common allosteric site and mechanism in caspases [PDF]
Proceedings of the National Academy of Sciences, 2006 We present a common allosteric mechanism for control of inflammatory and apoptotic caspases. Highly specific thiol-containing inhibitors of the human inflammatory caspase-1 were identified by using disulfide trapping, a method for site-directed small-molecule discovery.
Justin M, Scheer +2 more
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Machine learning approaches in predicting allosteric sites
Current Opinion in Structural BiologyAllosteric regulation is a fundamental biological mechanism that can control critical cellular processes via allosteric modulator binding to protein distal functional sites. The advantages of allosteric modulators over orthosteric ones have sparked the development of numerous computational approaches, such as the identification of allosteric binding ...
Nerín-Fonz, Francho, Cournia, Zoe
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Optimal allosteric stabilization sites using contact stabilization analysis [PDF]
Journal of Computational Chemistry, 2016 Proteins can be destabilized by a number of environmental factors such as temperature, pH, and mutation. The ability to subsequently restore function under these conditions by adding small molecule stabilizers, or by introducing disulfide bonds, would be a very powerful tool, but the physical principles that drive this stabilization are not well ...
Alex, Dickson +2 more
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Nature Communications, 2020 Allosteric regulation is an innate control in most metabolic and signalling cascades that enables living organisms to adapt to the changing environment by tuning the affinity and regulating the activity of target proteins. For a microscopic understanding
Olga Bozovic +2 more
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Orthosteric and allosteric binding sites of P2X receptors [PDF]
European Biophysics Journal, 2008 P2X receptors for ATP comprise a distinct family of ligand gated ion channels with a range of properties. They have been shown to be involved in a variety of physiological processes including blood clotting, sensory perception, pain sensation, bone formation as well as inflammation and may provide a number of novel drug targets.
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The mechanism of allosteric inhibition of protein tyrosine phosphatase 1B.
PLoS ONE, 2014 As the prototypical member of the PTP family, protein tyrosine phosphatase 1B (PTP1B) is an attractive target for therapeutic interventions in type 2 diabetes.
Shuai Li +6 more
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Identification of the Allosteric Regulatory Site of Insulysin
PLoS ONE, 2011 Insulin degrading enzyme (IDE) is responsible for the metabolism of insulin and plays a role in clearance of the Aβ peptide associated with Alzheimer's disease. Unlike most proteolytic enzymes, IDE, which consists of four structurally related domains and exists primarily as a dimer, exhibits allosteric kinetics, being activated by both small substrate ...
Nicholas Noinaj +7 more
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Novel Allosteric Sites on Ras for Lead Generation
PLoS ONE, 2011 Aberrant Ras activity is a hallmark of diverse cancers and developmental diseases. Unfortunately, conventional efforts to develop effective small molecule Ras inhibitors have met with limited success. We have developed a novel multi-level computational approach to discover potential inhibitors of previously uncharacterized allosteric sites.
Grant, Barry J +6 more
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