Results 71 to 80 of about 11,653 (194)
Allosteric modulation of the adenosine A2A receptor by cholesterol
eLife, 2022 Cholesterol is a major component of the cell membrane and commonly regulates membrane protein function. Here, we investigate how cholesterol modulates the conformational equilibria and signaling of the adenosine A2A receptor (A2AR) in reconstituted ...
Shuya Kate Huang +8 more
doaj +1 more source
The FEBS Journal, EarlyView.Human frataxin deficiency causes Friedreich's ataxia, yet how iron‐binding events are communicated across the protein is unclear. Using transfer entropy analysis of molecular dynamics simulations, we identify buried hydrophobic core leucines (LEU136, LEU140) as the source of directional signaling toward the iron‐binding acidic ridge.
Kevser Kübra Kırboğa +1 more
wiley +1 more source
Engineering Allostery into Proteins
, 2019 Our ability to engineer protein structure and function has grown dramatically over recent years. Perhaps the next level in protein design is to develop proteins whose function can be regulated in response to various stimuli, including ligand binding, pH changes, and light.
Scott D, Gorman +3 more
openaire +3 more sources
Small Molecule Targeting of Protein–Protein Interactions through Allosteric Modulation of Dynamics
Molecules, 2015 The protein–protein interaction (PPI) target class is particularly challenging, but offers potential for “first in class” therapies. Most known PPI small molecules are orthosteric inhibitors but many PPI sites may be fundamentally intractable to this ...
Benjamin P. Cossins +1 more
doaj +1 more source
Conformational ensembles of the disordered 4E‐BP2:eIF4E complex restrained by smFRET experiments
Protein Science, Volume 35, Issue 10, October 2026.Abstract Eukaryotic cap‐dependent translation initiation is regulated by binding of the predominantly folded eukaryotic initiation factor 4E (eIF4E) to the intrinsically disordered eIF4E binding proteins (4E‐BPs). Here, we report full‐length atomistic conformational ensembles generated by IDPConformerGenerator and optimized by X‐EISDv2 workflow for ...
Spencer Smyth +5 more
wiley +1 more source
Visualization of allostery in P-selectin lectin domain using MD simulations. [PDF]
, 2010 Allostery of P-selectin lectin (Lec) domain followed by an epithelial growth factor (EGF)-like domain is essential for its biological functionality, but the underlying pathways have not been well understood.
吕守芹 +9 more
core +1 more source
PLoS Computational Biology, 2018 Intrinsically disordered proteins/regions (IDPs/IDRs) are prevalent in allosteric regulation. It was previously thought that intrinsic disorder is favorable for maximizing the allosteric coupling.
Luhao Zhang, Maodong Li, Zhirong Liu
doaj +1 more source
Proteins: Structure, Function, and Bioinformatics, Volume 94, Issue 10, Page 1671-1685, October 2026.ABSTRACT The GTPase KRAS executes a conformational switch between a GTP‐bound active state and a GDP‐bound inactive state, a process central to oncogenic signaling. However, the structural basis of this switching at the level of residue‐contact organization remains incompletely characterized by traditional binary structural models.
Fatma Senguler Ciftci, Burak Erman
wiley +1 more source
Self-organization, entropy and allostery [PDF]
, 2018 Allostery is a fundamental regulatory mechanism in biology. Although generally accepted that it is a dynamics-driven process, the exact molecular mechanism of allosteric signal transmission is hotly debated.
Kornev, Alexandr P, Alexandr P. Kornev
core +1 more source