Results 31 to 40 of about 10,740 (213)

Structure-based prediction of protein allostery [PDF]

, 2018
Allostery is the functional change at one site on a protein caused by a change at a distant site. In order for the benefits of allostery to be taken advantage of, both for basic understanding of proteins and to develop new classes of drugs, the structure-
Joe G Greener, Greener, JG, Sternberg, MJE, Michael JE Sternberg   +3 more
core   +3 more sources

Probing the Regulatory Role of Allostery via Protein Dynamics of Biological Systems

, 2023
Allostery is a universal process in cellular interaction and function. Allosteric regulation occurs when local changes from a distant site of the biomolecular structure alter the changes at the binding site. Allosteric regulation is an intrinsic property,
Souffrant, Michael G
core   +1 more source

Quantitative Analysis of Dynamic Allostery

, 2022
Dynamic allostery refers to one important class of allosteric regulation that does not involve noticeable conformational changes upon effector binding.
Zhirong Liu, Qiaojing Huang, Zhirong Liu (135388), Luhua Lai (36732), Qiaojing Huang (9521556), Luhua Lai   +5 more
core   +1 more source

The genotype‐phenotype landscape of an allosteric protein

Molecular Systems Biology, 2021
Allostery is a fundamental biophysical mechanism that underlies cellular sensing, signaling, and metabolism. Yet a quantitative understanding of allosteric genotype‐phenotype relationships remains elusive.
Drew S Tack, Peter D Tonner, Abe Pressman, Nathan D Olson, Sasha F Levy, Eugenia F Romantseva, Nina Alperovich, Olga Vasilyeva, David Ross   +8 more
doaj   +1 more source

Allostery in the dynamic coactivator domain KIX occurs through minor conformational micro-states.

PLoS Computational Biology, 2022
The coactivator KIX of CBP uses two binding surfaces to recognize multiple activators and exhibits allostery in ternary complex formation. Activator•coactivator interactions are central to transcriptional regulation, yet the microscopic origins of ...
Amanda L Peiffer, Julie M Garlick, Stephen T Joy, Anna K Mapp, Charles L Brooks   +4 more
doaj   +1 more source

The Ensemble Basis of Allostery and Function: Insights from Models of Local Unfolding [PDF]

Journal of Molecular Biology
James O Wrabl, Jordan T White, Vincent J Hilser   +2 more
exaly   +2 more sources

Mapping allosteric communications within individual proteins

Nature Communications, 2020
The computational prediction of protein allostery can guide experimental studies of protein function and cellular activity. Here, the authors develop a network-based method to detect allosteric coupling within proteins solely based on their structures ...
Jian Wang, Abha Jain, Leanna R. McDonald, Craig Gambogi, Andrew L. Lee, Nikolay V. Dokholyan   +5 more
doaj   +1 more source

Investigation of the Possible Allostery of Koumine Extracted From Gelsemium elegans Benth. And Analgesic Mechanism Associated With Neurosteroids

Frontiers in Pharmacology, 2021
Translocator protein 18 kDa (TSPO) is an evolutionarily conserved 5-transmembrane domain protein, and has been considered as an important therapeutic target for the treatment of pain.
Bojun Xiong, Bojun Xiong, Wenbing You, Yufei Luo, Guilin Jin, Guilin Jin, Minxia Wu, Ying Xu, Ying Xu, Jian Yang, Jian Yang, Huihui Huang, Changxi Yu, Changxi Yu   +13 more
doaj   +1 more source

Protein allostery. computational characterization of diguanylate cyclase PleD [PDF]

, 2009
In biology, accurate cellular regulation in response to environmental signals is crucial for the fitness of organisms. On the molecular level the modulation of protein activity is often achieved by the binding of a signaling molecule or by covalent ...
Schmid, Franziska F.-F.
core   +1 more source

AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems

Entropy, 2015
In performing their biological functions, molecular machines must process and transmit information with high fidelity. Information transmission requires dynamic coupling between the conformations of discrete structural components within the protein ...
Michael V. LeVine, Harel Weinstein
doaj   +1 more source