structural biology

The paper investigates the early steps of PrPC unfolding during PrPSc propagation using NMR and simulations, identifying key regions and mechanisms of unfolding/refolding.

This study identifies Hib, a new family of ribosome hibernation factors in Archaea, showing its role in preserving ribosomes during stress and revealing its structural and functional mechanisms.

This study identifies dipeptidase 1 as the receptor for PHEV, showing it does not require sialic acid and reveals structural versatility in receptor binding.

This study uses molecular dynamics simulations to analyze how HIF-2 ligands differentially affect the structure, dynamics, and transcriptional activity of the HIF-2/ARNT complex, enabling high-throughput virtual screening.

This study investigates how carbohydrate-active enzymes induce conformational changes in glycans through ring distortions, revealing mechanisms that influence enzyme specificity and inhibitor design.

This study models the full-length HIV-1 Env trimer with a lipid bilayer and uses molecular dynamics to analyze its conformational flexibility and implications for viral entry and antibody accessibility.

This study constructs a full-atom model of the NisFEG transporter in the ATP-bound state, revealing structural asymmetry and interaction mechanisms critical for nisin extrusion and bacterial immunity.

The paper investigates how specific lipids modulate the activity of the pLGIC ELIC5, showing that cardiolipin stabilizes an agonist-responsive resting state through binding at an M3-M4 site.

This study shows that C-terminal amidation enhances antimicrobial peptide efficacy by stabilizing structures and promoting membrane interactions in U3.5.

This study uses hybrid simulations to show that side chain flexibility and angular mismatch enhance Fo motor rotation efficiency, with conserved structural features across species.

This study investigates the structural differences in mitotic-centrosome assembly between Drosophila and C. elegans, showing divergent mechanisms involving Cnn and SPD-5 proteins.

This study determines the structure of the COPI vesicle coat with GOLPH3 and shows how it preferentially binds Golgi residents at late cisternae through coincidence detection of COPI and lipid.

This study reports the crystal structure of SsdA, a bacterial ssDNA deaminase, revealing its unique substrate binding mechanism and sequence-independent activity.

This study examines how mavacamten affects skeletal muscle structure by reducing ON-state myosin heads and shortening thin filament length, similar to its effects in cardiac muscle.

This study examines how the K845N mutation in LIG1 affects nick binding and sealing using biochemical, structural, and single-molecule approaches, revealing reduced ligation efficiency and altered binding dynamics.

This study investigates the structural and mechanistic role of Dis3L2 in RNA degradation, identifying a critical residue involved in double-stranded RNA processing.

This study identifies a stable complex between a trimeric autotransporter adhesin and a peptidoglycan-binding periplasmic protein, revealing structural and interaction details.

The study reveals an allosteric mechanism by which the PH domain of ASAP1 enhances Arf1 GTPase activity through structural and dynamic interactions on a membrane surface.

This study investigates how cardiolipin dynamics influence mitochondrial membrane remodeling via OPA1 interactions using molecular dynamics and cryoEM.

This study reports cryo-EM structures of GGCX bound to VKDPs and vitamin K, revealing its dual-catalytic mechanism and disease-associated mutation clusters.

This study determines the structure of the plant receptor IGP1 bound to a cellulose-derived DAMP, revealing its mechanism for recognizing glycan patterns and initiating immune responses.

This paper uses solid-state NMR to selectively detect rigid regions in chemotaxis signaling protein complexes, revealing conformational changes between signaling states.

This study identifies a domain-swapped conformation in CaMKII that enables linker-mediated allosteric regulation, demonstrated through structural, computational, and live-cell analyses.

The paper explores cyclic peptide conformations using multiple molecular dynamics protocols and force fields, finding that combining implicit solvent simulations improves native structure prediction.

This paper reports the structure of the FZD4-Tspan12 complex and shows how Tspan12 enhances Norrin signaling by facilitating trafficking and higher-affinity Norrin binding.

This study investigates how ParB activates ParA ATPase activity during bacterial chromosome segregation in Myxococcus xanthus by analyzing their molecular interactions.

This study uses molecular dynamics simulations to investigate how the C-terminal domain of SIRT6 interacts with the nucleosome, influencing DNA unwrapping and H3K27 accessibility.

This study uses molecular dynamics simulations to model the assembly of icosahedral virus capsids, revealing how protein subunits form symmetric structures around RNA genomes.

This study reveals how DNA sequence and ligand binding influence the structural dynamics of RAR/RXR-coregulator complexes through integrative structural analysis.