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Investigating the role of elastin and extracellular matrix damage in cardiovascular calcification
Cardiovascular calcification is an integral part of many cardiovascular diseases, which collectively are the leading cause...
RosettaHDX: Predicting antibody-antigen interaction from hydrogen-deuterium exchange mass spectrometry data
KeywordsHydrogen–deuterium exchange mass spectrometry (HDX-MS)1Antibody-antigen interaction2Epitope-paratope identificatio...
Untangling the effects of flexibility and the AWI in cryoEM sample preparation: A case study using KtrA
Single particle cryo-electron microscopy (cryoEM) is a powerful tool for elucidating the structures of biological macromol...
A non-parametric approach to particle picking in all frames
Single-particle cryo-electron microscopy (cryo-EM) is a leading technique for determining the three-dimensional structure ...
Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus
MOs, defined as starch-derived oligosaccharides containing 3–10 glucose units connected by α-(1–4) glycosidic linkages (Yi...
Three-dimensional reconstruction of Magnetofaba australis strain IT-1: Magnetosome chain position with respect to flagella
Magnetotactic bacteria (MTB) form a distinct group encompassing morphologically, phylogenetically, and physiologically dif...
Effects of Gα C-terminal deletion on the intrinsic GDP release/GTPase activity and conformational dynamics
Heterotrimeric G proteins (G proteins) are pivotal regulators of cellular signaling pathways and operate downstream of G p...
Improving CryoEM maps of symmetry-mismatched macromolecular assemblies: A case study on the flagellar motor
Updated maps and coordinates replace those associated with Singh et al., 2024; the previously reported coordinates should ...
Allosteric inhibition of cytosolic NADP+-dependent isocitrate dehydrogenase by oxaloacetate
Isocitrate dehydrogenase (IDH) catalyzes the oxidative decarboxylation of isocitrate to α-ketoglutarate, following the rea...
Conformational landscape of the mycobacterial inosine 5′-monophosphate dehydrogenase octamerization interface
Atomic coordinates are deposited in the Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) ...
MRGPRX2 ligandome: Molecular simulations reveal three categories of ligand-receptor interactions
IntroductionMas-related G protein-coupled receptor (MRGPR) X2 is a mast cell receptor known to be activated by a wide rang...
Structural insights into the RNA binding inhibitors of the C-terminal domain of the SARS-CoV-2 nucleocapsid
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been associated with causing the coronavirus disease ...
Characterization of conformational flexibility in protein structures by applying artificial intelligence to molecular modeling
The challenge of a modern physicochemical biology is to establish the relationship between the protein structure and its f...
Structural organization of the organic sheath that delineates extracellular seta silicification in diatoms
Nanopatterning of inorganic materials is a challenging task for contemporary science. It is therefore remarkable that unic...
2.0 Å cryo-EM structure of the 55 kDa nucleoplasmin domain of AtFKBP53
Structural biology has catered to the atomic resolution structure of biological macromolecules, facilitating the mechanist...
Computational identification of B and T-cell epitopes for designing a multi-epitope vaccine against SARS-CoV-2 spike glycoprotein
The COVID-19 pandemic continues to have a devastating impact worldwide, with over 776 million cumulative cases and more th...
Dengue virus-host interactions: Structural and mechanistic insights for future therapeutic strategies
Viral infections pose a major public health threat as they can spread rapidly and cause various diseases. These infections...
NMR and semi-synthesis in synergy to study protein regulation
Structural biology as a field has advanced immensely in the last few years, but the mechanistic roles of protein disordere...
Determinants of site-selectivity in human ileal bile acid-binding protein by NMR dynamic analysis of a functionally-impaired mutant
Backbone 1H and 15N chemical shifts together with 15N T1, T2, and -15N NOE relaxation data for the investigated complexes ...