Allostery in its many disguises: from theory to applications

SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky… - Structure, 2019 - cell.com
Allosteric regulation plays an important role in many biological processes, such as signal
transduction, transcriptional regulation, and metabolism. Allostery is rooted in the …

The ensemble nature of allostery

HN Motlagh, JO Wrabl, J Li, VJ Hilser - Nature, 2014 - nature.com
Allostery is the process by which biological macromolecules (mostly proteins) transmit the
effect of binding at one site to another, often distal, functional site, allowing for regulation of …

Introducing protein intrinsic disorder

J Habchi, P Tompa, S Longhi, VN Uversky - Chemical reviews, 2014 - ACS Publications
Proteins are the major component of the living cell. They play crucial roles in the
maintenance of life, and their dysfunctions are known to cause different pathologies. One of …

Protein ensembles: how does nature harness thermodynamic fluctuations for life? The diverse functional roles of conformational ensembles in the cell

G Wei, W **, R Nussinov, B Ma - Chemical reviews, 2016 - ACS Publications
All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …

[HTML][HTML] Allostery in disease and in drug discovery

R Nussinov, CJ Tsai - Cell, 2013 - cell.com
Allostery is largely associated with conformational and functional transitions in individual
proteins. This concept can be extended to consider the impact of conformational …

Protein conformational ensembles in function: roles and mechanisms

R Nussinov, Y Liu, W Zhang, H Jang - RSC chemical biology, 2023 - pubs.rsc.org
The sequence-structure-function paradigm has dominated twentieth century molecular
biology. The paradigm tacitly stipulated that for each sequence there exists a single, well …

Dynamic allostery can drive cold adaptation in enzymes

HG Saavedra, JO Wrabl, JA Anderson, J Li, VJ Hilser - Nature, 2018 - nature.com
Adaptation of organisms to environmental niches is a hallmark of evolution. One prevalent
example is that of thermal adaptation, in which two descendants evolve at different …

Allosteric modulator discovery: from serendipity to structure-based design

S Lu, X He, D Ni, J Zhang - Journal of medicinal chemistry, 2019 - ACS Publications
Allosteric modulators bound to structurally diverse allosteric sites can achieve better
pharmacological advantages than orthosteric ligands. The discovery of allosteric …

A unified view of “how allostery works”

CJ Tsai, R Nussinov - PLoS computational biology, 2014 - journals.plos.org
The question of how allostery works was posed almost 50 years ago. Since then it has been
the focus of much effort. This is for two reasons: first, the intellectual curiosity of basic science …

Biophysics of protein evolution and evolutionary protein biophysics

T Sikosek, HS Chan - Journal of The Royal Society …, 2014 - royalsocietypublishing.org
The study of molecular evolution at the level of protein-coding genes often entails comparing
large datasets of sequences to infer their evolutionary relationships. Despite the importance …