Results 11 to 20 of about 2,237,466 (287)
Markov models for the elucidation of allosteric regulation [PDF]
Allosteric regulation refers to the process where the effect of binding of a ligand at one site of a protein is transmitted to another, often distant, functional site. In recent years, it has been demonstrated that allosteric mechanisms can be understood by the conformational ensembles of a protein.
Ushnish Sengupta, Birgit Strodel
openaire +3 more sources
Coarse-grained models of biomolecule dynamics and allostery [PDF]
Recently, it has become increasingly accepted that thermal fluctuations take active part in functional tasks of biological molecules. We employ a set of coarse-grained models to investigate the mechanism of transmission of allosteric signal via spatial ...
Toncrova, Hedvika
core +7 more sources
Allosteric Regulation of SARS-CoV-2 Spike Protein Revealed by Contrastive Machine Learning [PDF]
Allosteric regulation is common in protein-protein interactions and thus can be used in drug design. Nevertheless, the mechanism of allosteric regulation remains elusive for most proteins, including SARS-CoV-2 spike protein, despite extensive ...
Tao, Wei +4 more
core +1 more source
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
The Allosteric Regulation of Pyruvate Kinase [PDF]
Pyruvate kinase (PK) is critical for the regulation of the glycolytic pathway. The regulatory properties of Escherichia coli were investigated by mutating six charged residues involved in interdomain salt bridges (Arg(271), Arg(292), Asp(297), and Lys(413)) and in the binding of the allosteric activator (Lys(382) and Arg(431)).
VALENTINI, GIOVANNA +5 more
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The allosteric regulation of pyruvate kinase [PDF]
Crystallographic and mutagenesis studies have unravelled the general features of the allosteric transition mechanism in pyruvate kinase. The enzyme displays a dramatic conformational change in going from the T‐ to the R‐state. All three domains forming each subunit of the tetrameric enzyme undergo simultaneous and concerted rotations, in such a way ...
MATTEVI, ANDREA +2 more
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Quaternary structure is an essential component that contributes to the sophisticated allosteric regulation mechanism in a key enzyme from Mycobacterium tuberculosis. [PDF]
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
Allo-network drugs: Extension of the allosteric drug concept to protein-protein interaction and signaling networks [PDF]
Allosteric drugs are usually more specific and have fewer side effects than orthosteric drugs targeting the same protein. Here, we overview the current knowledge on allosteric signal transmission from the network point of view, and show that most ...
Csermely, Péter +3 more
core +2 more sources
Full-length nuclear receptor allosteric regulation
Nuclear receptors are a superfamily of transcription factors regulated by a wide range of lipids that include phospholipids, fatty acids, heme-based metabolites, and cholesterol-based steroids. Encoded as classic two-domain modular transcription factors,
Woong Jae Choi +2 more
doaj +1 more source
This is the initial release to archive original code used for the RNA-Seq analysis performed in the manuscript "Allosteric-regulation-of-switch-II-controls-K-Ras-oncogenicity"
Bing Shui
core +1 more source

