Refining S-acylation: Structure, regulation, dynamics, and therapeutic implications

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Cyclic peptides are attractive for drug discovery due to their excellent binding properties and the potential to cross cell membranes. However, by far not all cyclic peptides are cell permeable, and measuring or predicting their membrane permeability is no ...

STARD4 regulates cholesterol homeostasis by transferring cholesterol between the plasma membrane and endoplasmic reticulum. The STARD4 structure features a helix-grip fold surrounding a large hydrophobic cavity holding the sterol. Its access is controlled ...

Post-translational modifications (PTMs) play a pivotal role in regulating protein structure, interaction, and function. Aberrant PTM patterns are associated with diseases. Moreover, individual PTMs have a complex interaction with each other, known as PTM c ...

Cells have evolved endocytic pathways to internalize different molecules, to regulate intra-cellular communication and their interaction with external environment. Pathogens have co-evolved with cells to exploit these processes for infections. In particula ...

Over the past two decades, protein S-acylation (often referred to as S-palmitoylation) has emerged as an important regulator of vital signalling pathways. S-Acylation is a reversible post-translational modification that involves the attachment of a fatty a ...

The phenomenon of allostery, a general property in proteins that has been heralded as "the second secret of life" remains elusive to our understanding and even more challenging to incorporate into protein design. One example of allosteric proteins with gre ...

The application of computational biology in drug development for membrane protein targets has experienced a boost from recent developments in deep learning-driven structure prediction, increased speed and resolution of structure elucidation, machine learni ...

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The early branching eukaryote Naegleria gruberi can transform transiently from an amoeboid life form lacking centrioles and flagella to a flagellate life form where these elements are present, followed by reversion to the amoeboid state. The mechanisms imp ...

The field of protein design has made remarkable progress over the past decade. Historically, the low reliability of purely structure-based design methods limited their application, but recent strategies that combine structure-based and sequence-based calcu ...

Redox homeostasis is a key factor in maintaining cellular function and health. The main determinant of the intracellular redox potential is ubiquitous glutathione (GSH) together with its oxidized dimer (GSSG). Importantly, both redox equilibrium and GSH ho ...

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In the domain of computational structural biology, predicting protein interactions based on molecular structure remains a pivotal challenge. This thesis delves into this challenge through a series of interconnected studies. The first chapter introduces th ...

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The synthesis of complex sugars is a key aspect of microbial biology. Cyclic beta-1,2-glucan (C beta G) is a circular polysaccharide critical for host interactions of many bacteria, including major pathogens of humans (Brucella) and plants (Agrobacterium). ...

Refining S-acylation: Structure, regulation, dynamics, and therapeutic implications

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Bulk measurement of membrane permeability for random cyclic peptides in living cells to guide drug development

Membrane specificity of the human cholesterol transfer protein STARD4

Investigating the intra-molecular and inter-molecular effects of post-translational modifications on intrinsically disordered protein regions and structured protein regions

S-acylation and lipid exchange at the ER-Golgi membrane contact sites regulate pathogen entry in human cells

Mechanisms and functions of protein S-acylation

From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors

Computational drug development for membrane protein targets

Nissl_6, Raw images for Machine learning for histological annotation and quantification of cortical layers

Mechanisms of axoneme and centriole elimination in Naegleria gruberi

Opportunities and challenges in design and optimization of protein function

HaloTag-Based Tools for Live-Cell Imaging and Elucidation of Organellar Redox Biology

Engineering novel protein interactions with therapeutic potential using deep learning-guided surface design

Recording physiological history of cells with chemical labeling

Gentle Rhodamines for Live-Cell Fluorescence Microscopy

Optimality principles for the analysis of biological processes across scales: From enzyme kinetics to microbiome dynamics

Predicting protein interactions using geometric deep learning on protein surfaces

Engineering hydrogel microenvironments for epithelial organoid culture

Microsecond Time-Resolved Cryo-Electron Microscopy

Effects of thermal, mechanical, and electrostatic perturbations on lipid membrane hydration investigated by second harmonic imaging

Structure-function analysis of the cyclic β-1,2-glucan synthase from Agrobacterium tumefaciens