[HTML][HTML] Intrinsic dynamics is evolutionarily optimized to enable allosteric behavior

Y Zhang, P Doruker, B Kaynak, S Zhang… - Current opinion in …, 2020 - Elsevier
Highlights•The intrinsic dynamics, encoded in proteins' sequences and structures, are
utilized by stimuli to trigger allosteric and functional actions.•The modes of allosteric actions …

The “violin model”: Looking at community networks for dynamic allostery

LK Madan, CL Welsh, AP Kornev… - The Journal of Chemical …, 2023 - pubs.aip.org
Allosteric regulation of proteins continues to be an engaging research topic for the scientific
community. Models describing allosteric communication have evolved from focusing on …

Architecture and self-assembly of the jumbo bacteriophage nuclear shell

TG Laughlin, A Deep, AM Prichard, C Seitz, Y Gu… - Nature, 2022 - nature.com
Bacteria encode myriad defences that target the genomes of infecting bacteriophage,
including restriction–modification and CRISPR–Cas systems. In response, one family of …

Extracting Dynamical Correlations and Identifying Key Residues for Allosteric Communication in Proteins by correlationplus

M Tekpinar, B Neron, M Delarue - Journal of Chemical Information …, 2021 - ACS Publications
Extracting dynamical pairwise correlations and identifying key residues from large molecular
dynamics trajectories or normal-mode analysis of coarse-grained models are important for …

Revealing the catalytic strategy of FTO

A Varghese, SO Waheed, SS Chaturvedi, I DiCastri… - Chem Catalysis, 2023 - cell.com
The fat-mass and obesity-associated protein (FTO) is an Fe (II)-and 2-oxoglutarate (2OG)-
dependent oxygenase of the AlkB family and is linked with obesity and cancer. The enzyme …

Characterization of differential dynamics, specificity, and allostery of lipoxygenase family members

K Mikulska-Ruminska, I Shrivastava… - Journal of chemical …, 2019 - ACS Publications
Accurate modeling of structural dynamics of proteins and their differentiation across different
species can help us understand generic mechanisms of function shared by family members …

Ligand-binding-site structure shapes allosteric signal transduction and the evolution of allostery in protein complexes

G Abrusán, JA Marsh - Molecular Biology and Evolution, 2019 - academic.oup.com
The structure of ligand-binding sites has been shown to profoundly influence the evolution of
function in homomeric protein complexes. Complexes with multichain binding sites (MBSs) …

Dynamic correlations: exact and approximate methods for mutual information

K Demirtaş, B Erman, T Haliloğlu - Bioinformatics, 2024 - academic.oup.com
Motivation Proteins are dynamic entities that undergo conformational changes critical for
their functions. Understanding the communication pathways and information transfer within …

[HTML][HTML] Adaptability and specificity: how do proteins balance opposing needs to achieve function?

B Wingert, J Krieger, H Li, I Bahar - Current opinion in structural biology, 2021 - Elsevier
Many proteins select from a small repertoire of 3-dimensional folds retained over evolutional
timescales and recruited for different functions, with changes in local structure and sequence …

Quantitative analysis of dynamic Allostery

Q Huang, L Lai, Z Liu - Journal of Chemical Information and …, 2022 - ACS Publications
Dynamic allostery refers to one important class of allosteric regulation that does not involve
noticeable conformational changes upon effector binding. In recent years, many “quasi” …