structural biology

Endothelial protein C receptor is an entry receptor for Langya virus

This study identifies the endothelial protein C receptor (EPCR) as the entry receptor for Langya virus and reveals the molecular basis of its interaction with the viral attachment glycoprotein.

Structural Basis of Second-Generation HIV-1 Maturation Inhibitor Activity by Magic Angle Spinning NMR

This study uses MAS NMR to determine the binding mode of HRF-4467, a second-generation HIV-1 maturation inhibitor, in the CA-SP1-NC11 complex with IP6, revealing its mechanism of action and resistance profile.

Prokaryotic homologs of the major vault protein form engineerable vault nanocapsules

The paper identifies prokaryotic homologs of the major vault protein that assemble into vault nanocapsules, revealing structural and size variability.

Contributions of Site Heterogeneity in Multi-site Brain-Phenotype Predictions

This paper evaluates how site heterogeneity affects brain-phenotype predictions in multi-site data, finding that larger sample sizes improve accuracy more than multi-site composition.

Connectome structure constrains neural activity across scales

The paper shows that coarse-grained connectome partitions can preserve functional predictions about neural activity even when path structure is lost.

FoXSight: Facilitating Computational Hit Identification in Crystallographic Fragment Screening Experiments

FoXSight identifies weak binding events in crystallographic fragment screening by detecting target-specific density features in noisy electron density maps.

A validation approach for RNA structures based on deep-learning 3D-structure predictions

This paper extends a protein structure validation method to RNA, showing it can detect errors in low-resolution structures where map-based methods fail.

Long-range allosteric restraint by the Spiral-Pincer scaffold gates oxidative activation of the ATM kinase

The paper investigates how the Spiral-Pincer scaffold regulates ATM kinase activation by oxidative stress, showing it restricts access to an oxidation-competent conformation.

Molecular insights into the regulation of coenzyme selection in NADP-specific glutamate dehydrogenase from Saccharomyces cerevisiae

This study investigates coenzyme specificity in yeast GDH3, showing how mutations alter coenzyme preference and revealing structural and evolutionary mechanisms of coenzyme regulation.

SCN- induces prestin contraction through reduced intermonomer angles and a modified transporter like movement of each monomer.

The paper investigates how SCN- induces prestin contraction through structural changes in its dimers and monomers, associated with altered intermonomer angles and beta sheet loss.

Lesion-Derived Estimated Functional and Structural Connectomes Predict Post-Stroke Recovery Outcomes

The paper develops a pipeline to estimate structural and functional connectomes from lesion masks to predict post-stroke recovery outcomes, showing better performance than traditional methods.

BundleMorphometry: Spatially Resolved White Matter Bundle Shape Analysis Using Nonlinear Streamline-based Registration

BundleMorphometry quantifies local white matter bundle shape using nonlinear registration, revealing deformation patterns in glioma and Parkinson's disease datasets.

Human senataxin uses distinct peripheral elements to unwind R-loops and act on RNA polymerase II

This study identifies distinct peripheral elements in senataxin that mediate R-loop unwinding and RNA polymerase II regulation through structural and biochemical analyses.

EigenBrain maps cortical molecular architecture from functional, geometric, and structural eigenmodes

The paper shows functional MRI eigenmodes can approximate specific receptor and transporter distributions in the cortex, while structural and geometric eigenmodes cannot, and applies this to detect molecular differences in autism and schizophrenia.

Decoding antibody-antigen recognition: the BL8 language and its application in calibrating deep learning predictions

This paper introduces BL8, a structural language to evaluate deep learning predictions of antibody-antigen interactions, revealing false positives and enabling reliable consensus predictions.

Anti-HIV-1 B cell antigen receptor signaling and structure

This study reports cryo-EM structures of full-length BCRs, revealing their dynamic conformation and antigen binding-induced signaling mechanisms.

Structural analysis of HERC2/UBE3A and HERC2/DOCK10 complexes provides new insights into the molecular basis of Angelman, Angelman-like and Dup15q Syndromes

The paper analyzes the structural and functional interactions of HERC2/UBE3A and HERC2/DOCK10 complexes to understand their role in Angelman and Dup15q Syndromes.

Discovery of a sulfotyrosine-motif in the human TrkB extracellular domain required for agonist activation

The paper investigates how ZEB85 activates TrkB by identifying a sulfotyrosine motif essential for agonist activation, while BDNF uses a different binding site.

Structural Mechanism of TRPC3 Channel Activation by the Moonwalker Mutation

The paper presents structures of hTRPC3 in resting and open states, revealing how the moonwalker mutation activates the channel by disrupting a polar interaction and inducing structural changes.

Antigenic landscape of a highly mutated SARS-CoV-2 Spike in ongoing viral evolution

This study examines how mutations in the N-terminal domain of SARS-CoV-2 Spike affect antigenic properties and immune escape, finding that structural flexibility and loss of heme-metabolite interaction reduce antibody neutralization.

A SARS-CoV-2 entry inhibitor trimerizes to lock the spike protein in a closed conformation

This paper describes a trimeric inhibitor, S22, that stabilizes the SARS-CoV-2 spike protein in a closed conformation, preventing ACE2 binding and viral entry.

SMARTFlexDB: a paired apo-holo RNA structure database and analysis platform for RNA conformational flexibility and small-molecule recognition

SMARTFlexDB links ligand-bound and ligand-free RNA structures to study conformational flexibility and small-molecule recognition, providing a resource for RNA-targeted drug discovery.

Superinfection exclusion strategy of siphophage T5: analysis of the FhuA:Llp complex

The paper determines the structure of Llp and analyzes the FhuA:Llp complex to understand superinfection exclusion in bacteriophage T5.

Lipid gating of BK channels and mechanism of activation by negatively charged lipids

This study investigates how lipid interactions influence BK channel conductivity and activation, proposing a multi-modal mechanism involving lipid entry reduction and structural stabilization.

Structural mechanism of metal-induced DNA release by an ArsR/SmtB transcriptional regulator

This study defines the structural mechanism of metal-induced DNA release by the ArsR/SmtB repressor CadC using crystal structures and biochemical analyses.

Structural and Mechanistic Basis of FapB Accessory Functional Amyloid Assembly in Pseudomonas

This study determines the structural and mechanistic basis of FapB amyloid assembly in Pseudomonas, showing it forms cross-β-solenoid fibrils and interacts with FapC fibrils.

Transposon end recognition and pairing by I-F3 CRISPR-associated transposase

This study determines how the I-F3 CRISPR-associated transposase recognizes and pairs transposon ends for transposition using cryo-EM and biochemical analyses.

Mechanistic insights into chromatin modulation by the orphan remodeler ATRX

This study reveals how ATRX modulates chromatin by unwrapping nucleosomal DNA through a unique 'pin-like' structure and other features, proposing a 'climbing' mechanism for DNA translocation.

Decoding the Conformational Dynamics and Hyperactivity of Histone H3K36 N-Methyltransferase in Oncogenic Mutations via tICA and Markov State Modeling

This study uses molecular dynamics simulations to show that oncogenic NSD2 mutations enhance catalytic efficiency by reorganizing conformational dynamics rather than destabilizing the enzyme.

Substrates Coupling and Inhibition of the human Na+- dependent Cl-/HCO3-exchanger

This study determines cryo-EM structures of NCBE, revealing ion binding sites and an inhibitor mechanism, and proposes an elevator-like transport mechanism for Na+-coupled HCO3- transporters.