C. Schaffitzel

Allosteric modulation by the fatty acid site in the glycosylated SARS-CoV-2 spike

This paper uses D-NEMD simulations to study how the fatty acid site in the glycosylated SARS-CoV-2 spike modulates its structure and function, revealing allosteric networks and the role of glycans.

Antibodies generated in vitro and in vivo elucidate design of a thermostable ADDomer COVID-19 nasal nanoparticle vaccine

This study develops a thermostable ADDomer-based nanoparticle vaccine that neutralizes SARS-CoV-2 and cross-reacts with VOCs, demonstrating its potential for nasal administration.

Structure of the Commander endosomal trafficking complex linked to X-linked intellectual disability/Ritscher-Schinzel syndrome

The paper presents the structural model of the Commander endosomal trafficking complex, identifies disease-causing mutations, and reveals its molecular function in trafficking.

Molecular dynamics of spike variants in the locked conformation: RBD interfaces, fatty acid binding and furin cleavage sites.

This study uses molecular dynamics simulations to analyze sequence variations in SARS-CoV-2 spike proteins and their effects on receptor binding domain interfaces, fatty acid binding, and furin cleavage site motions across variants.

Molecular architecture of the autoinhibited kinesin-1 lambda particle

The paper integrates computational structure prediction with electron microscopy to reveal the coiled-coil architecture of the autoinhibited compact form of kinesin-1.

The Free Fatty Acid-Binding Pocket is a Conserved Hallmark in Pathogenic β-Coronavirus Spike Proteins from SARS-CoV to Omicron

The paper identifies a conserved free fatty acid-binding pocket in pathogenic β-coronavirus spike proteins that suppresses viral infection and replication.

SARS-CoV-2 spike variants differ in their allosteric response to linoleic acid

This study compares how SARS-CoV-2 spike variants respond to linoleic acid removal using simulations, finding significant differences in allosteric connections that may affect transmissibility and virulence.

Molecular basis of neurodevelopmental disorder-causing mutation in nonsense-mediated mRNA decay factor UPF3B

This study investigates how a mutation in UPF3B, a NMD factor, causes intellectual disability by reducing its binding affinity to UPF2 and altering NMD activity.

The fatty acid site is coupled to functional motifs in the SARS-CoV-2 spike protein and modulates spike allosteric behaviour

This study uses molecular dynamics simulations to show that the fatty acid binding site in the SARS-CoV-2 spike protein influences distant functional regions and variant behavior.

Cryptic pathogen-sugar interactions revealed by universal saturation transfer analysis

This paper introduces uSTA, an NMR method to analyze protein-ligand interactions, revealing SARS-CoV-2 spike binds sialoside sugars via the NTD and showing variants-of-concern lose this binding.

A novel Hsp90 phospho-switch modulates virulence in the major human fungal pathogen Candida albicans

This study identifies two Hsp90 phosphorylation sites in Candida albicans that modulate virulence by affecting stress response, morphogenesis, and drug susceptibility.

Unexpected free fatty acid binding pocket in the cryo-EM structure of SARS-CoV-2 spike protein

The paper reveals a direct structural link between SARS-CoV-2 spike protein and linoleic acid, a key molecule in inflammation, immune modulation, and membrane fluidity.

Live-cell 3D single-molecule tracking reveals how NuRD modulates enhancer dynamics

This study uses live-cell 3D single-molecule tracking to show that the NuRD complex decompacts chromatin and alters enhancer dynamics by increasing their movement and reducing time in a fast-diffusing state.

Structure and dynamics of the central lipid pool and protein components of the bacterial holo-translocon

The paper investigates the structure and dynamics of the bacterial holo-translocon using SANS and molecular dynamics simulations, revealing a central lipid core involved in membrane protein insertion.