A5090264198- Protein Structure and Dynamics
- Glycosylation and Glycoproteins Research
- Galectins and Cancer Biology
- RNA and protein synthesis mechanisms
- Electron Spin Resonance Studies
- Heat shock proteins research
- NF-κB Signaling Pathways
- Social and Educational Sciences
- Macrophage Migration Inhibitory Factor
- Advanced NMR Techniques and Applications
- Advanced Glycation End Products research
- Mass Spectrometry Techniques and Applications
- Computational Drug Discovery Methods
- Inflammasome and immune disorders
- Magnesium in Health and Disease
- Immune Response and Inflammation
- Photosynthetic Processes and Mechanisms
- Signaling Pathways in Disease
- Crystallography and molecular interactions
- NMR spectroscopy and applications
- Diabetes and associated disorders
- Enzyme Structure and Function
- Latin American and Latino Studies
- Endoplasmic Reticulum Stress and Disease
- Hydrogen Storage and Materials
University of Gothenburg
2022-2024
Lund University
2018-2024
Halogen bonding is increasingly utilized in efforts to achieve high affinity and selectivity of molecules designed bind proteins, making it paramount understand the relationship between structure, dynamics, thermodynamic driving forces. We present a detailed analysis addressing this problem using series protein-ligand complexes involving single halogen substitutions - F, Cl, Br, I nearly identical structures. Isothermal titration calorimetry reveals an favorable binding enthalpy from F that...
Molecular recognition is fundamental to biological signaling. A central question how individual interactions between molecular moieties affect the thermodynamics of ligand binding proteins and these effects might propagate beyond immediate neighborhood site. Here, we investigate this by introducing minor changes in structure characterizing on affinity carbohydrate domain galectin-3, using a combination isothermal titration calorimetry, X-ray crystallography, NMR relaxation, computational...
Proton-transfer dynamics plays a critical role in many biochemical processes, such as proton pumping across membranes and enzyme catalysis. The large majority of enzymes utilize acid–base catalysis proton-transfer mechanisms, where the rates transfer can be rate limiting for overall reaction. However, measurement proton-exchange kinetics individual side-chain carboxyl groups proteins has been achieved only handful cases, which typically have involved comparative analysis mutant context...
The medically important drug target galectin-3 binds galactose-containing moieties on glycoproteins through an intricate pattern of hydrogen bonds to a largely polar surface-exposed binding site. All successful inhibitors date have been based mono- or disaccharide cores closely resembling natural ligands. A detailed understanding the H-bonding networks in these ligands will provide improved foundation for design novel inhibitors. Neutron crystallography is ideal technique reveal geometry...
Studies of protein-ligand binding often rely on dissolving the ligand in dimethyl sulfoxide (DMSO) to achieve sufficient solubility, and then titrating solution into protein solution. As a result, final contains small amounts DMSO buffer. Here we report how addition impacts studies conformational dynamics. We used 15 N NMR relaxation compare rotational diffusion correlation time (τC ) proteins aqueous buffer with without DMSO. found that τC scales viscosity water-DMSO mixture, which depends...
Abstract Mucosa-associated lymphoid tissue protein 1 (MALT1) plays a key role in adaptive immune responses by modulating specific intracellular signalling pathways that control the development and proliferation of both T B cells. Dysfunction these is coupled to progress highly aggressive lymphoma as well potential an array different disorders. In contrast other mediators, MALT1 not only activated through formation CBM complex together with proteins CARMA1 Bcl10, but also acting protease...
ABSTRACT Mucosa-associated lymphoid tissue lymphoma-translocation protein 1 (MALT1) has emerged as an attractive target for the development of modulatory compounds, particularly in treatment lymphoma and other cancers. While three-dimensional structure MALT1(PCASP-Ig3) 339–719 been previously determined through X-ray analysis, its dynamic behaviour solution remained largely unexplored. We present here inaugural analyses apo form along with mutated variant, E549A. This investigation harnessed...
Abstract Mucosa-associated lymphoid tissue lymphoma-translocation protein 1 (MALT1) is an attractive target for the development of modulatory compounds in treatment lymphoma and other cancers. While three-dimensional structure MALT1 has been previously determined through X-ray analysis, its dynamic behaviour solution remained unexplored. We present here analyses apo form along with E549A mutation. This investigation used NMR 15 N relaxation NOE measurements between side-chain methyl groups....
Abstract The CorA/Mrs2 family of pentameric proteins are cardinal for the influx Mg 2+ across cellular membranes, importing cation to mitochondria in eukaryotes. Yet, conducting and regulation mechanisms permeation remain elusive, particularly eukaryotic Mrs2 members. Here, we report closed open cryo-electron microscopy structures, accompanied by functional characterization. flux is permitted a narrow pore, gated methionine arginine residues state. Transition between conformations...
Abstract Mucosa-associated lymphoid tissue protein 1 (MALT1) plays a key role in adaptive immune responses by modulating specific intracellular signalling pathways that control the development and proliferation of both T B cells. Dysfunction these is coupled to progress highly aggressive lymphoma as well potential an array different disorders. In contrast other mediators, MALT1 not only activated through formation CBM complex together with proteins CARMA1 Bcl10, but also acting protease...