structural biology

How medically important antimicrobials bind to the 30S ribosomal subunit in a bacterial pathogen

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.

IgG3 Hinge Architecture Expands Dengue Virus Breadth of A Quaternary Epitope Dependent Zika Virus Cross-Neutralizing Antibody

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.

Structural Insights into Biased Signaling at Chemokine Receptor CCR7

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.

Structure of a Stand-Alone Homodimeric NRPS Condensation Domain Reveals Occlusion of the Canonical Carrier-Protein Interface

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.

Context-Dependent Variability Of HIF Heterodimers Influences Interactions With Macromolecular And Small Molecule Partners

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.

Molecular mechanism of M1-mediated influenza A virus assembly

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

Structural Studies of an Anti-necroptosis Viral:Human Functional Hetero-amyloid M45:RIPK3 using SSNMR

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

RNA2PS: A sequence-specific coarse-grained RNA model linking structure, thermodynamics and phase separation

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

Biochemical and structural characterisation of MprF homologue,LpiA from Agrobacterium

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.

Extreme phase compression preserves buildable basins in macromolecular crystallography

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.

Structure and Dynamics of a Long-Acting Insulin Analog in Hexameric and Dihexameric States

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.

The structural mechanism of eukaryotic fluoride channel activation and inhibition by monovalent cations

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.

Integrating AI and molecular modeling for structural prediction of a closed state of the hERG channel

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.

Structural and biochemical insights reveal substrate-modulated nuclease activity of ComEC during DNA processing

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.

Structural basis of substrate recognition and conformational gating in the bacteriophage M15 metalloendopeptidase LysPH

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

Molecular basis of Salla Disease: R39C Mutation Effects on the Lysosomal Transporter Sialin

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

Structural Dynamics and Allosteric Communication of a SARS-Like Bat Coronavirus Spike Glycoprotein

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.

Inferring structure factors of weakly populated excited states in perturbative crystallography experiments

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.

Free energy and flexibility analysis of autoinhibited human BRAF

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.

Structure of zebrafish NLRP3 reveals a novel mode of inflammasome activation

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.

Distinct distributions of myosin motor conformations during contraction of slow and fast skeletal muscle

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.

Small Molecule Activators of Protein Phosphatase 2A Exert Global Stabilising Effects on the Scaffold PR65

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.

Structural basis of QueC-family protein function in qatABCD anti-phage defense

This study determines the structural basis of QueC-family protein function in the qatABCD anti-phage defense system, showing their role in targeting protein substrates for N-terminal modification.

Capturing transient states of heterodimeric ABC transporter TM287/288 by Time-Resolved Small-Angle X-ray Scattering

This study captures transient states of the ABC transporter TM287/288 using time-resolved small-angle X-ray scattering and reveals a transient occluded state in its ATP-driven conformational cycle.

Identification of loop regions as motifs determining cellular and organ chirality in Myosin 1C

The paper identifies loop motifs in Myosin1C that determine cellular and organ chirality by swapping these motifs between Myosin1C and Myosin1D and analyzing their effects.

A major histocompatibility complex (MHC) class II molecule that binds the same viral pathogen peptide with both nonamer and decamer core sequences for presentation to T cells

The paper identifies a chicken MHC class II molecule that binds the same viral peptide with both nonamer and decamer core sequences, revealing binding plasticity in immune response to MDV.

Loop Plasticity Drives Paralog-Specific Recognition in BET ET Domains

The paper investigates how sequence variations in BET ET domains influence paralog-specific peptide recognition through loop dynamics and conformational changes.

A miniaturized MR1 metabolite display system with native-like protein features

This paper develops a stabilized MR1 variant, SMART-MR1, that preserves native-like ligand presentation and TCR recognition while enabling biochemical and structural studies.

Missense mutations on SynGAP C2 domain impair membrane diffusion

The paper investigates how missense mutations in the SynGAP C2 domain affect membrane diffusion dynamics through molecular simulations and structural analysis.

Structural basis of drug efflux by the staphylococcal efflux pump QacA

This study reports crystal structures of the QacA efflux pump in different conformational states, revealing structural dynamics and mechanisms of multidrug transport and extrusion.