Nithin C3d ago

Our new paper published in the Computational and Structural Biotechnology Journal explains how ligands binding the exact same IL1R1 site produce opposite outcomes.

We used MD simulations and CABS-flex to show how IL1 receptor antagonists block signaling despite binding the exact same site as agonists. Instead of a static blockade, antagonists actively disrupt distal D3 domain dynamics.

Read here: https://doi.org/10.34133/csbj.0017

#MolecularDynamics #Biophysics #StructuralBiology #Allostery

Nicolas GambardellaMay 5, 2025
This month marks the 60th anniversary of the Monod-Wyman-Changeux (MWC) model, which provides an explanation for one of the fundamental mechanism in molecular biology, cooperativity.
https://www.linkedin.com/pulse/happy-birthday-mwc-nicolas-gambardella-wk8ge
#allostery
Happy birthday MWC

This month marks the 60th anniversary of the Monod-Wyman-Changeux (MWC) model, which provides an explanation for one of the fundamental mechanism in molecular biology, cooperativity. All biomolecular events are basically driven by biased stochastic processes.

Matt WillemsenAug 19, 2023
Scientists Successfully Recreate and Mathematically Validate Two Molecular Languages at the Origin of Life
Canadian researchers at the University of Montreal have successfully recreated and mathematically confirmed two molecular languages at the origin of life.
Their groundbreaking findings pave the way for advancements in nanotechnologies, offering potential in areas like biosensing, drug delivery, and molecular imaging.
https://scitechdaily.com/scientists-successfully-recreate-and-mathematically-validate-two-molecular-languages-at-the-origin-of-life/ #language #life #origin #allostery #multivalency
Scientists Successfully Recreate and Mathematically Validate Two Molecular Languages at the Origin of Life

Canadian researchers at the University of Montreal have successfully recreated and mathematically confirmed two molecular languages at the origin of life. Their groundbreaking findings, recently published in the Journal of American Chemical Society, pave the way for advancements in nanotechnologi

SciTechDaily
StructBiolCommunicationsJan 18, 2023
The first serial synchrotron crystallography structure of apo PTP1B indicates a degree of allosteric decoupling that adds nuance to the previously reported paradigm of allostery in this protein #XRayCrystallography #Phosphatase #Allostery #openaccess https://doi.org/10.1107/S2053230X22011645
Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B

The first serial synchrotron crystallographic structure of apo PTP1B is reported and the conformational heterogeneity at several allosteric sites is compared with that seen in prior structures.

Acta Crystallographica Section F