U. Zachariae

Characterisation of ligand gating, ion conduction and the ion selectivity mechanism in the endo-lysosomal ion channel hTPC2

This study uses simulations to investigate how the lipid PI(3,5)P2 affects ion selectivity and activation of hTPC2, revealing structural changes and ion permeation mechanisms.

Multidrug Efflux in Gram-Negative Bacteria: Rationally Modifying Compounds to Avoid Efflux Pumps

The paper analyzes over 73,000 compounds in E. coli strains to identify chemical features that help evade efflux pumps, showing efflux's major role in drug bioactivity.

Mechanism of negative μ-opioid receptor modulation by sodium ions

This study investigates how sodium ions negatively modulate μ-opioid receptors by analyzing molecular dynamics simulations and revealing structural changes linked to Na+ binding.

A hydrophobic funnel governs monovalent cation selectivity in the ion channel TRPM5

This study identifies a hydrophobic funnel in TRPM5 that enables monovalent cation selectivity by blocking divalent cations through a unique mechanism.

The SARS-CoV-2 envelope (E) protein forms a calcium- and voltage-activated calcium channel

This study identifies the SARS-CoV-2 E protein as a calcium- and voltage-activated ion channel that releases Ca2+ from the ER, suggesting it as a potential target for antiviral therapies.

A co-operative knock-on mechanism underpins Ca2+-selective cation permeation in TRPV channels

This study investigates how TRPV channels achieve Ca2+-selectivity through a co-operative knock-on mechanism and structural differences.

A mechanistic switch from selective transporter to an ion channel impairs the filamentation signalling capability of ammonium transceptors in yeast

The paper shows that variations in the Twin-His motif of Amt-Mep transporters switch their function from selective transport to non-specific ion channel activity, impairing filamentation signaling in yeast.

An antibiotic-resistance conferring mutation in a neisserial porin: Structure, ion flux, and ampicillin binding

This study shows how a single mutation in Neisseria meningitidis porin PorB affects antibiotic binding and permeability, revealing structural and functional changes in drug resistance.

Ion-water coupling controls class A GPCR signal transduction pathways

The paper uses molecular dynamics simulations to show that ion-water coupling is essential for GPCR signal transduction, with sodium acting as a master switch.

Positively selected modifications in the pore of TbAQP2 allow pentamidine to enter Trypanosoma brucei

The paper identifies mutations in TbAQP2 that enable pentamidine permeation, showing how specific structural changes in the aquaporin pore allow drug entry in Trypanosoma brucei.

A two-lane mechanism for selective biological ammonium transport

The paper reveals a two-lane mechanism for selective ammonium transport in Amt/Mep/Rh transporters using electrophysiology, yeast complementation, and molecular dynamics simulations.

Disease-related single-point mutations alter the global dynamics of a tetratricopeptide (TPR) α-solenoid domain

The paper shows that disease-related mutations in the OGT-TPR domain alter its biomechanical properties, affecting substrate interactions and potentially contributing to intellectual disability.

Merging in-solution X-ray and neutron scattering data allows fine structural analysis of membrane-protein detergent complexes

The paper combines SAXS and SANS data to analyze unlabeled membrane-protein detergent complexes, providing more detailed structural information than either method alone.

High-resolution experimental and computational electrophysiology reveals weak β-lactam binding events in the porin PorB

The paper uses electrophysiology and simulations to study weak β-lactam binding events in the porin PorB.

The lipid environment determines the activity of the E. coli ammonium transporter, AmtB

This study shows that phosphatidylglycerol binding to AmtB is essential for its activity and stabilizes its structure, revealing new binding sites and functional roles.

Modulation of the Neisseria gonorrhoeae drug efflux conduit MtrE

This study characterizes the electrophysiological properties of MtrE and MtrC in Neisseria gonorrhoeae, showing their role in antibiotic efflux and identifying potential targets for inhibitors.

Intracellular Passage Of Na+ In An Active State G Protein Coupled Receptor

This study shows that Na+ ion movement from an extracellular binding site to the cytosol is a key step in GPCR activation, stabilizing active-state conformations.