structural biology

This study identifies PaBqsR as a regulator of Fe2+ acquisition in P. aeruginosa by directly binding Fe2+ and controlling the feo operon.

This study identifies YebC2 as a translation factor that resolves ribosome stalling at polyprolines independently of EF-P and YfmR in B. subtilis.

This study presents a 2.4 Å crystal structure of the SARS-CoV-2 nsp16/nsp10 complex bound to Cap-1 RNA, revealing structural insights into its assembly and methylation mechanism.

This study uses molecular dynamics simulations and machine learning to analyze how mutations affect Smlt1473's binding to substrates, identifying key residues involved in substrate interaction.

This paper investigates how Roquin's two ROQ domains interact with different regions of the Ox40 mRNA 3UTR, revealing opposing effects on RNA structure stability and mRNA decay.

This study shows that tension in the neck linker of kinesin-1 suppresses premature binding of the detached head, explaining coordinated stepping through allosteric regulation.

The paper reveals a beta-relay signaling mechanism in prokaryotic Argonautes that activates the SPARDA defense system to degrade invading DNA and host DNA, preventing plasmid spread.

This study investigates how BSEP mutations cause PFIC2 by analyzing protein stability and structure, identifying a key interface affected by disease-causing variants.

The paper compares the mechanical behavior of two TCRs recognizing the same pMHC using MD simulations, showing differences in load response due to dynamic allostery.

This paper uses computational methods to model how nitazene derivatives bind to the mu-opioid receptor, identifying key binding modes and interactions.

This study uses molecular dynamics simulations to show that the V72I mutation in Hsp60 disrupts allosteric communication, rigidifying its complexes and impairing function.

The paper develops and validates coarse-grained models of enzymes using a top-down approach, showing agreement between simulated and experimental structural measures.

This study reveals the conformational dynamics of the Cas8 protein in the Cascade-TniQ complex, showing how it transitions between open and closed states to facilitate DNA binding and transposition.

This study investigates how pseudouridine affects ribosome susceptibility to aminoglycosides by comparing wild-type and pseudouridine-deficient ribosomes.

This study identifies two inhibitors of the Mtb efflux pump EfpA, determines their binding mechanisms, and suggests their potential for combination anti-tuberculosis therapy.

The paper presents the first high-resolution structure of Mycobacterium tuberculosis 20S core particle in an inactive state, revealing the structural basis for allosteric regulation.

This study determines the structure of PP2A/B55 inhibited by IER5-N50 and shows its role in suppressing pTau dephosphorylation and KRT1 expression.

The paper characterizes a DyP encapsulin from enterobacteria, showing its structural features, stability under harsh conditions, and catalytic activity preference at low pH.

This study shows that 2-oxoglutarate induces dodecamer assembly of Methanosarcina mazei glutamine synthetase, enhancing its activity through a cooperative mechanism.

This study uses high-resolution computational modeling to uncover new molecular interactions between T. cruzi gp82 and LAMP2, revealing cooperative motions critical for host-cell invasion.

This paper characterizes the structure and dynamics of HSPB1 oligomers using biophysical and computational methods, revealing conformational heterogeneity and domain-specific interactions.

The paper identifies a novel KATP channel pharmacochaperone, Aekatperone, using AI screening and cryoEM, showing reversible inhibition and functional recovery of trafficking mutants.

This study uses molecular dynamics simulations to show that N-linked glycans at positions N88 and N611 modulate HIV-1 Env tilting motion in a membrane environment.

This study characterizes the structure and interactions of M. tuberculosis Mam1A-1D proteins using X-ray and neutron scattering, revealing their tetrameric structure and disulfide bridges, and their interaction with LucA.

The paper investigates how EnvZ signal output relates to transmembrane water encapsulation and helix dynamics in Gram-negative bacteria.

This study determines the structure of a GPCR-G protein-β-arrestin complex stabilized by an allosteric modulator, showing a novel binding mode that allows coexistence with G protein signaling.

The paper uses multi-temperature X-ray crystallography to show how temperature-dependent structural changes in enzyme complexes affect activity and challenge assumptions of Arrhenius/Eyring model parameters.

The paper identifies a common network of residue-residue contacts in peptide-MHC class II interactions across different complexes and proposes criteria for predicting peptide binding.

The paper determines the structure of E. coli LetAB, identifies LetA as a novel transporter family, and proposes a mechanism for lipid transport using proton-motive force.

This study presents the first structural characterization of NFI-X, revealing its DNA-binding domain structure and key determinants for activity, providing a framework for understanding the NFI family's function and drug design.