Recent advances suggest increased influence of selective pressure in allostery.
Sign Up to like & getrecommendations! Published in 2020 at "Current opinion in structural biology"
DOI: 10.1016/j.sbi.2020.02.004
Abstract: Allosteric regulation of protein functions is ubiquitous in organismal biology, but the principles governing its evolution are not well understood. Here we discuss recent studies supporting the large-scale existence of latent allostery in ancestor proteins… read more here.
Keywords: advances suggest; suggest increased; biology; recent advances ... See more keywords
Molecular Dynamics Simulations Establish the Molecular Basis for the Broad Allostery Hotspot Distributions in the Tetracycline Repressor.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c03275
Abstract: It is imperative to identify the network of residues essential to the allosteric coupling for the purpose of rationally engineering allostery in proteins. Deep mutational scanning analysis has emerged as a function-centric approach for identifying… read more here.
Keywords: dynamics simulations; tetracycline repressor; hotspot; molecular dynamics ... See more keywords
Analysing allostery
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DOI: 10.1038/s41557-021-00762-7
Abstract: Allostery, often referred to as the ‘second secret of life’, is a process in which ligands binding to a biomolecule influence activity at a remote site. The causal sequence of binding and conformational change is,… read more here.
Keywords: allostery; chemistry; spectroscopy; host guest ... See more keywords
The ‘allosteron’ model for entropic allostery of self-assembly
Sign Up to like & getrecommendations! Published in 2018 at "Philosophical Transactions of the Royal Society B: Biological Sciences"
DOI: 10.1098/rstb.2017.0186
Abstract: Using the simple ‘allosteron’ model, we show that it is possible, in principle, to elicit pathways by which fluctuation allostery affects self-assembly of protein complexes. We treat the cases of (i) protein fibrils and nucleation,… read more here.
Keywords: allostery; self assembly; model entropic; allosteron model ... See more keywords
All-Atom MD Simulations of the HBV Capsid Complexed with AT130 Reveal Secondary and Tertiary Structural Changes and Mechanisms of Allostery
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DOI: 10.3390/v13040564
Abstract: The hepatitis B virus (HBV) capsid is an attractive drug target, relevant to combating viral hepatitis as a major public health concern. Among small molecules known to interfere with capsid assembly, the phenylpropenamides, including AT130,… read more here.
Keywords: simulations hbv; hbv capsid; atom simulations; reveal ... See more keywords