structural biology

Quantifying Mg2+ dependence on conformational equilibrium in the two-state 7SK RNA stem-loop 3

This study quantifies how Mg2+ modulates the conformational equilibrium of the 7SK RNA SL3 domain, showing a shift toward the SL3e state and identifying a DMS reactivity signature for A*C wobble base pairs.

Crystal structure of E. coli Nissle 1917 flagellin reveals novel features that modulate bacterial motility but not TLR5 recognition

This study determines the crystal structure of E. coli Nissle 1917 flagellin and shows that hypervariable regions affect motility but not TLR5 recognition.

Coupling of electron-bifurcation modules powers aromatic ring reduction beyond the biological redox window

This study reveals how BCRII enzymes use electron-bifurcation modules to reduce aromatic rings beyond typical biological redox limits.

Structural basis of substrate recognition for proteasome degradation by prokaryotic ubiquitin-like protein ligase PafA

The paper determines the structural basis of substrate recognition by PafA, showing that broad specificity arises from dynamic, geometrically compatible interactions rather than sequence-specific binding.

Proton tunneling at the ryanodine receptor Ca2+ activation site provides temperature-invariant noise for robust Ca2+-induced Ca2+ release

Serial femtosecond crystallography reveals the pH-driven allosteric mechanism of hexamer glargine

This study reveals the pH-driven allosteric mechanism of hexamer glargine using serial femtosecond crystallography and multiscale analyses, showing a structural transition linked to delayed release.

Orthosteric and allosteric effects of anti-CRISPR II-C1 inhibition on GeoCas9 from integrated structural biophysics

This study investigates how AcrIIC1 inhibits GeoCas9 by analyzing structural and dynamic changes in the HNH nuclease domain.

Dimerisation and twist reversal of the Lewy fold in α-synuclein mutants with Parkinson's disease and dementia

The paper reports the structures of α-synuclein filaments from individuals with Parkinson's disease and dementia, revealing differences in dimerisation and twist reversal between pathogenic and non-pathogenic variants.

A Conserved Mechanism for Positioning Ferredoxin NADP+ Reductase at Photosystem I in Green Algae

This study identifies a conserved mechanism in green algae where FNR is tethered to PSI-LHCI via Lhca4's N-terminal helix, revealing spatial regulation of electron transfer.

Structural and biochemical characterization of a novel inhibitor of NMNAT1, the gatekeeper of nuclear NAD+ biosynthesis

The paper identifies AMI-1 as an inhibitor of NMNAT1, shows its effect on NAD+ levels and cancer cell viability, and determines its binding mechanism via cryo-EM.

Dynamic Mechanism for Subtype Selectivity of Endocannabinoids

This study investigates the biophysical mechanisms underlying anandamide selectivity for CB1 receptors, revealing enthalpic and entropic effects shaped by N-terminus movements and binding pocket volume differences.

Structural Basis of Polypurine Track Strand Displacement by HIV-1 Reverse Transcriptase

This paper reports cryo-EM structures of HIV-1 RT during PPT strand displacement, revealing the mechanism and key residues involved in the process.

HIV-1 Reverse Transcriptase interactions with Long-acting NNRTI, Depulfavirine (VM1500A)

This study reports the crystal structure of HIV-1 reverse transcriptase bound to depulfavirine, showing its extended binding conformation and resistance to common mutations, along with combination efficacy with other antivirals.

Unravelling the plausible metal-dependent catalytic mechanism of Inositol monophosphatase ortholog from Pseudomonas aeruginosa through the lenses of macromolecular crystallography and enzyme kinetics

This study determines the crystal structures of PaIMPase and proposes three Mg2+-dependent catalytic mechanisms based on structural and kinetic analyses.

Molecular mechanism of redox regulation of the alpha-carboxysomal carbonic anhydrase CsoSCA

This study identifies redox regulation of CsoSCA, a carboxysomal carbonic anhydrase, showing it is inactive under reducing conditions and active under oxidizing conditions due to a conserved cysteine pair.

Structure of the Hibernating Francisella tularensis Ribosome and Mechanistic Insights into Its Inhibition by Antibiotics

This study determines the structure of the hibernating F. tularensis ribosome and shows RaiA and antibiotics bound to it, offering insights for therapeutic intervention.

Conformational Dynamics of Na+-Pumping NADH-Quinone Oxidoreductase during Na+ Translocation from AlphaFold-Facilitated Markov State Modeling

This study uses AlphaFold and Markov state modeling to analyze the conformational dynamics of Na+-NQR, revealing how redox state and Na+ binding regulate Na+ translocation.

Modeling a Shared Reality of Tractography through Varied Structural Imaging

This paper introduces a method to generate white matter tractograms from FLAIR images without diffusion data, showing it captures structural probabilities similar to diffusion-based tractography.

Frustration Landscapes of Broadly Neutralizing SARS-CoV-2 Spike Antibodies Targeting Conserved Epitopes Reveal Energetic Logic of Escape-Proof and Escape-Prone Mechanisms

This paper analyzes the molecular mechanisms of broadly neutralizing SARS-CoV-2 antibodies by combining computational methods to reveal how conserved epitopes resist immune escape.

Formation of a μ-oxo nucleophile enables efficient hydrolysis by a trinuclear metal center in Family II inorganic pyrophosphatase

The paper elucidates the hydrolysis mechanism of Family II inorganic pyrophosphatase using structural and computational methods, identifying a μ-oxo nucleophile as the rate-limiting step.

Molecular architecture of Influenza A virions

This study defines the molecular architecture of Influenza A virions using structural and compositional approaches, revealing unique features of filamentous virions.

Structures of folding intermediates on BAM show diverse substrates fold by a uniform mechanism

The paper reports structures of folding intermediates of beta-barrel proteins assembled by BAM, showing a uniform folding mechanism across diverse substrates.

Substrate-dependent oligomerization modulates DGAT1 activity and subcellular localization

This study investigates how substrate-dependent oligomerization affects DGAT1 activity and subcellular localization through molecular dynamics, biochemical reconstitutions, and live-cell fluorescence microscopy.

Decoding Mutually Induced Conformational Changes in Non-Canonical Recognition of U1 SL4 snRNA by ULD of SF3A1 during Early Spliceosome Assembly

This study investigates the structural and dynamic basis of non-canonical recognition between SF3A1 ULD and U1 snRNA SL4 during spliceosome assembly, revealing dual recognition mechanisms and the impact of mutations on protein-RNA interactions.

Stomatin encapsulates aquaporin-1 and urea transporter-B in the erythrocyte membrane

This study determines the high-resolution structures of stomatin complexes with AQP-1 and UT-B, revealing their structural basis of association and role in erythrocyte osmotic balance.

Structural Plasticity of the Membrane-Bound Protein Degradation Assembly Supports Bacterial Adaptation to Stress

The paper investigates the structural plasticity of the HflK/C complex in bacteria, showing that both open and closed conformations are critical for adaptation to aminoglycoside stress.

Chronology of tRNA structural dynamics prior to and during interaction with a pseudouridine synthase

The paper uses single-molecule techniques to study tRNA structural dynamics before and during interaction with the pseudouridine synthase Pus4, revealing conformational changes and remodeling effects.

Autologous skin cell suspensions established by the VeritaCell method accelerate healing and suppress scarring-associated cutaneous thickening in a rat wound model in vivo

The paper evaluates the in vivo efficacy of VeritaCell-derived autologous skin cell suspensions in a rat wound model, showing accelerated healing and reduced scarring.

Staying in the loop to make ends meet: roles and regulation of GlmR in Bacillus subtilis

This study investigates GlmR's role in carbon regulation, cell morphology, and stress response in Bacillus subtilis, revealing its post-translational regulation and enzymatic function.

Topology-aware multiscale modeling of viral genomes reveals stability determinants in circoviruses

This study uses computational models to analyze the topology of PCV2 viral genomes, revealing that different internal arrangements can produce similar external structures but vary in stability and function.