Four scientists at dinner

It was delightful to have a chance to catch up with @nozomi-ando.bsky.social during her visit to UB and hear about the amazing work happening in her group @andolab.bsky.social! The new work untangling allostery in ATCase is🔥!

#structuralbiology #biochemistry #allostery

Structural basis for substrate-dependent allostery in oxygen activation by a cytochrome P450 enzyme revealed by analysis at different temperatures Cytochrome P450 (CYP) enzymes are ubiquitous and important monooxygenases whose archetypal reaction is to insert an oxygen atom from dioxygen into unactivated carbon–hydrogen bonds. They require the orchestrated delivery of electrons as well as protons from the solvent. The latter is controlled through an “acid–alc

#allostery in a #P450 enzyme investigated by variable temperature crystallography and md simulations…. pubs.rsc.org/en/content/a...

Phosphorylation can regulate proteins by changing protonation. In Rac1–RhoGDI, Ser101/Ser174 phosphorylation shifts His protonation and disrupts allosteric communication, weakening binding and promoting Rac1 release. #ProteinScience #Allostery

onlinelibrary.wiley.com/doi/10.1002/...

SINE compounds activate exportin 1 degradation through an allosteric mechanism - Nature Chemical Biology Selinexor is a covalent inhibitor of the nuclear export receptor exportin 1 (XPO1). Wing, Fung and Kwanten et al. found that selinexor mediates XPO1 degradation through an allosteric molecule glue mec...

Selinexor is an allosteric degrader. It stabilizes XPO1/CRM1 to expose a cryptic ASB8 E3 ligase site, triggering ubiquitination. Led by Casey Wing, Joyce Fung & Bert Kwanten. #TargetedDegradation #Allostery

Here's another important QSPainRelief publication about allosteric sites at #GPCRs: They can be identified by looking at how strongly certain receptor sites are coupled to #conformational changes that occur during activation.

🔗 doi.org/10.3390/ijms...

#allostery #pharmacology #receptors #ligands

Speaking of #allostery: What happens when you mutate the #CannabinoidReceptor (CB1) in silico with a single-point mutation?

Find out👉: doi.org/10.1021/acso...

Spoiler😉: The F237L mutation mimics #allosteric #ligand effects, globally altering #receptor conformations and hindering activation

#GPCR

🎯Feature Alert 🚨
This paper delves into how #BindingKinetics reshape our understanding of #allosteric modulation. When it comes to cooperativity effects, it's all about

👉 WHERE molecules bind
👉 HOW FAST
👉 and in WHICH SEQUENCE

🔗 doi.org/10.1016/j.dr...

#allostery #pharmacology #DrugDesign #GPCRs

C-terminal domain dimerization in yeast Hsp90 is moderately modulated by the other domains Heat shock protein 90 (Hsp90) serves as a crucial regulator of cellular proteostasis by stabilizing and regulating the activity of numerous substrates, many of which are oncogenic proteins. Therefore,...

With growing interest in Hsp90 CTD inhibitors here's a reminder of our CTD study on yeast Hsp90. We showed the NTD and MD to modulate CTD dimerization and shape allostery; super relevant for CTD-targeted drug design #Hsp90 #allostery #DugDesign #Biophysics
www.cell.com/biophysj/ful...

Allosteric Lever: Toward a Principle of Specific Allosteric Response Allosteric proteins transmit signals through a nonlinear coupling between localized stiffness and soft deformations, revealing a conserved, lever-like mechanism behind long-range molecular communicati...

🎉 New insights on the mechanical principle of #allostery to explain how #signals travel across #proteins now published in @physrevx.bsky.social. Joint paper by our Mathematical bioPhysics and Computational Biomolecular Dynamics groups @mpi-nat.bsky.social in our department 🔗 doi.org/10.1103/wv2k...

✨ Presented my poster at the Protein Society Conference recently!

🎓 I shared my master’s work titled “Mechanistic Insight into Allosteric Upregulation of Argininosuccinate Synthetase I (ASS1)”.

#ProteinSociety #ASS1 #Allostery #Biochemistry #MastersResearch #ProteinScience #PosterPresentation

Congrats Aria GHEERAERT for the Dina Surdin Prize 2024 provided by @sfbbm.bsky.social. Aria presented her PhD work on #allostery in enzymes using molecular #modelling

Harnessing Synthetic Biology for Innovative Medical Treatments - CTGCT In the world of synthetic biology, scientists are pushing the boundaries of what's possible by designing proteins that can be controlled in specific ways. This review written by Tjaša Plaper, Urška Kn...

In the world of synthetic biology, scientists are pushing the boundaries of what’s possible by designing proteins that can be controlled in specific ways.

Check our breakdown of the review published in the Journal of Molecular Biology.

ctgct.si/en/objave/ha...

#synbio #CTGCT #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 ...

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.
www.linkedin.com/pulse/happy-...
#allostery

Structure-based mechanism of RyR channel operation by calcium and magnesium ions Ryanodine receptors (RyRs) serve for excitation-contraction coupling in skeletal and cardiac muscle cells in a noticeably different way, not fully understood at the molecular level. We addressed the s...

Structural mapping of ryanodine receptors uncovers distinct Ca²⁺/Mg²⁺ gating pathways.

#IonChannels #RyR #MuscleBiology #Allostery #StructuralBiology

Zahradníková et al #SlovakAcademyofSciences

🆕 #preprintpeerreview @biorxivpreprint.bsky.social

--> doi.org/10.1101/2024...

Allosteric modulation of ataxin-3 aggregation and potential therapeutic strategies for Machado-Joseph disease. The power of teamwork to tackle complex biological questions!

👉www.biorxiv.org/content/10.1101/2025.01....

#Neurodegeneration #SCA3 #Allostery #Aggregation #Preprint

We have several PhD positions open to use NMR, cryo-EM and other tool to study dynamic proteins: chaperones, enzymes, mitochondrial import.
Please forward to interested candidates. Application deadline Jan 8 phd.pages.ist.ac.at
#chaperone #mitochondria #NMR #enzyme #allostery #PhDjobs #sciencejobs

Allosteric Communication Mediated by Protein Contact Clusters: A Dynamical Model Describing the puzzling phenomenon of long-range communication between distant protein sites, allostery is of paramount importance in biomolecular regulation and signal transduction. It is commonly as...

Newest work of our group: Ahmed, Emanuel and Gerhard report on how allosteric information is transmitted via coupling of contact clusters within proteins. #compchem #allostery #biophysics #ai pubs.acs.org/doi/10.1021/...