Results 1 to 10 of about 19,917 (239)

Known allosteric proteins have central roles in genetic disease. [PDF]

open access: yesPLoS Computational Biology, 2022
Allostery is a form of protein regulation, where ligands that bind sites located apart from the active site can modify the activity of the protein. The molecular mechanisms of allostery have been extensively studied, because allosteric sites are less ...
György Abrusán   +2 more
doaj   +2 more sources

Coevolution-based prediction of key allosteric residues for protein function regulation

open access: yeseLife, 2023
Allostery is fundamental to many biological processes. Due to the distant regulation nature, how allosteric mutations, modifications, and effector binding impact protein function is difficult to forecast.
Juan Xie   +4 more
doaj   +1 more source

Dynamic energy correlation analysis of E. coli aspartokinase III and alteration of allosteric regulation by manipulating energy transduction pathways

open access: yesEngineering in Life Sciences, 2021
Conformational change associated with allosteric regulation in a protein is ultimately driven by energy transformation. However, little is known about the latter process.
Shizhen Wang   +2 more
doaj   +1 more source

Quaternary structure is an essential component that contributes to the sophisticated allosteric regulation mechanism in a key enzyme from Mycobacterium tuberculosis. [PDF]

open access: yesPLoS ONE, 2017
The first enzyme of the shikimate pathway, 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase (DAH7PS), adopts a range of distinct allosteric regulation mechanisms in different organisms, related to different quaternary assemblies.
Wanting Jiao   +3 more
doaj   +1 more source

Molecular Structure Underlying the Allosteric Mechanism of Caffeine Detection in Taste Sensor

open access: yesChemosensors, 2023
The use of taste sensors with lipid/polymer membranes is one of the methods to evaluate taste. As previously reported, taste sensors can detect non-charged substances such as caffeine by modifying the lipid/polymer membranes with hydroxybenzoic acids ...
Hengwei Xu   +4 more
doaj   +1 more source

Prospects for the use of allosteric drugs in real-world clinical practice

open access: yesРеальная клиническая практика: данные и доказательства, 2023
While the clinical validity of the use of allosteric regulation is known, scientists are working on the discovery of new methods for the development of allosteric drugs that can modulate the functions of enzymes, depending on the desired therapeutic ...
I. R. Svechkareva, A. S. Kolbin
doaj   +1 more source

Nonequilibrium Modeling of the Elementary Step in PDZ3 Allosteric Communication [PDF]

open access: yesThe Journal of Physical Chemistry Letters 13.42 (2022): 9862-9868, 2022
While allostery is of paramount importance for protein signaling and regulation, the underlying dynamical process of allosteric communication is not well understood. PDZ3 domain represents a prime example of an allosteric single-domain protein, as it features a well-established long-range coupling between the C-terminal $\alpha_3$-helix and ligand ...
arxiv   +1 more source

Allosteric Regulation at the Crossroads of New Technologies: Multiscale Modeling, Networks, and Machine Learning

open access: yesFrontiers in Molecular Biosciences, 2020
Allosteric regulation is a common mechanism employed by complex biomolecular systems for regulation of activity and adaptability in the cellular environment, serving as an effective molecular tool for cellular communication.
Gennady M. Verkhivker   +4 more
doaj   +1 more source

Computational Analysis of Residue Interaction Networks and Coevolutionary Relationships in the Hsp70 Chaperones: A Community-Hopping Model of Allosteric Regulation and Communication. [PDF]

open access: yesPLoS Computational Biology, 2017
Allosteric interactions in the Hsp70 proteins are linked with their regulatory mechanisms and cellular functions. Despite significant progress in structural and functional characterization of the Hsp70 proteins fundamental questions concerning modularity
Gabrielle Stetz, Gennady M Verkhivker
doaj   +1 more source

Design, Synthesis and Characterization of a New Series of Fluorescent Metabotropic Glutamate Receptor Type 5 Negative Allosteric Modulators

open access: yesMolecules, 2020
In recent years, new drug discovery approaches based on novel pharmacological concepts have emerged. Allosteric modulators, for example, target receptors at sites other than the orthosteric binding sites and can modulate agonist-mediated activation ...
Víctor Fernández-Dueñas   +6 more
doaj   +1 more source

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