structural biology

This study investigates how ionic conditions and structural flexibility affect RNA folding by comparing cryo-EM and XRD structures of the SARS-CoV-2 frameshifting stimulatory element.

CTGoMartini simulates protein conformational transitions using G[o]-Martini models, enabling the study of functional state changes in membrane proteins.

This study shows lipid bilayers enable cooperative cAMP binding to HCN channels but do not affect intrinsic binding affinity, revealing a role for membranes in enhancing inter-subunit interactions.

The paper uses statistical crystallography to model correlated motions in SARS-CoV-2 Mpro and shows how dimerization affects catalytic activity through structural links.

This study compares the demethylase activity, nucleosome engagement, and RB binding of KDM5A and KDM5B, revealing differences in their interactions and enzymatic behavior.

This study reveals the structural mechanism by which Bacteroides thetaiotaomicron steals iron-bound siderophores from pathogens using the XusAB complex.

The paper identifies the ETS domain as a structure-encoded NLS recognized by importins, revealing how importins mediate nuclear import of ETS transcription factors.

The paper analyzes how medically important antimicrobials bind to the 30S ribosomal subunit of Borrelia burgdorferi using structural analogy and computational methods to predict binding free energy.

This study identifies an IgG3 subclass antibody that expands neutralization breadth against dengue and zika viruses by engaging a quaternary epitope through structural and functional analyses.

This paper presents cryo-EM structures of CCR7 with CCL19 and CCL21, revealing distinct binding modes and dynamic receptor conformations that underlie biased agonism and differential signaling outcomes.

This study determines the structure of OaaC, a condensation domain involved in fatty acid amide biosynthesis, revealing how it occludes the ACP-binding site and is regulated by substrate-dependent oligomerization.

This study investigates how context-dependent variability in HIF heterodimers affects their interactions with DNA, small molecules, and coactivators, revealing a novel 'dimer-of-heterodimers' structure.

This study determines the molecular mechanism of M1-mediated influenza A virus assembly by analyzing M1's conformational states and interactions in virions.

This paper reports the high-resolution structure of a viral:host hetero-amyloid complex between M45 and RIPK3, revealing its mechanism of inhibiting necroptosis.

This paper uses molecular dynamics simulations to compare how RY785 and TEA inhibit Kv2.1 channels, showing RY785 stabilizes a semi-open gate state while TEA blocks the pore.

RNA2PS predicts RNA structure and phase separation behavior from sequence, showing sequence-dependent duplex stability and condensation differences in trinucleotide repeat RNAs.

The paper characterizes the structure and function of the MprF homologue LpiA from Agrobacterium, revealing its dimeric structure and the role of conserved residues in substrate binding.

This paper investigates how much phase information can be discarded in macromolecular crystallography while preserving structure solution, finding that binary phase representations can support automated structure determination.

This study presents X-ray structures of detemir in hexameric and dodecameric forms, revealing structural dynamics and identifying key residues involved in conformational changes and stability.

This study investigates how sodium and lithium regulate the fluoride exporter FEX, revealing structural and functional differences in their effects on channel activity and fluoride tolerance in yeast.

This study uses AI-based structural modeling to predict and compare closed-state conformations of the hERG channel, revealing insights into its dynamics and potential drug interactions.

This study characterizes the nuclease activity of full-length ComEC during DNA processing, showing how ComEA modulates this activity to ensure fidelity in natural transformation.

This paper identifies a novel bacteriophage endolysin LysPH with broad antibacterial activity and elucidates its structural basis for substrate recognition and catalytic activation.

This study investigates how the R39C mutation in sialin affects its lysosomal transport function by analyzing structural and dynamic changes in the protein.

This study uses molecular dynamics simulations to analyze how mutations in the SHC014-CoV spike protein affect its structural dynamics and allosteric communication, revealing mechanisms that enhance viral entry.

This paper introduces a statistical method to estimate excited-state structure factors in perturbative crystallography, improving upon traditional extrapolation by accounting for correlations between ground and excited states.

This study analyzes the free energy and flexibility of autoinhibited human BRAF using molecular dynamics simulations based on a cryo-EM model to understand its activation mechanism.

This study reports a novel mode of NLRP3 activation in zebrafish through cryo-EM structure analysis, revealing a distinct oligomeric arrangement and activation mechanism compared to humans.

The paper uses X-ray diffraction to show that fewer myosin motors are attached to actin in slow compared to fast skeletal muscle, revealing distinct structural and signaling mechanisms.

The paper investigates how two small molecule activators of PP2A, ATUX-8385 and DBK-776, affect the structural stability of the PR65 scaffold using biophysical and computational methods.