structural biology

This study identifies the structural basis for USP30 inhibition using chimeric protein engineering and provides a framework for designing specific deubiquitinase inhibitors.

This paper reports structures of ΦC31 integrase in complexes with DNA recombination sites, elucidating the structural basis of its unidirectional recombination mechanism.

This study shows SARS-CoV-2 nsp1 inhibits translation in bat cells and human cells, revealing its broad activity across mammals.

The paper uses machine learning-augmented MD simulations to study ZTP riboswitch ligand interactions, finding that ligand on-rates, not binding affinity, determine activation potency.

ColBuilder generates atomistic models of crosslinked collagen fibrils and validates them through molecular dynamics simulations.

This study determines the crystal structure of talin head bound to β2-integrin tail, revealing species-specific mechanisms of integrin activation through a two-mode binding configuration.

This study uses molecular dynamics simulations and Markov state models to analyze histone tail conformations and shows acetylation increases H2B tail dynamics.

This study investigates the immunogenicity and structure of a clade C HIV-1 Env trimer from a pediatric elite-neutralizer, showing it elicits strong autologous neutralizing antibodies and reveals key neutralizing epitopes.

The paper determines the structure of active Ni(I)-Methyl-CoM reductase, revealing how it catalyzes methane formation and providing insights for methane emission control and biofuel production.

This paper compares STP6 and STP10 to understand sugar selectivity in Arabidopsis thaliana, showing that a single methyl group position in the binding site determines glucose and fructose specificity.

The paper solves cryo-EM structures of the V2R bound to Tolvaptan and Mambaquaretin toxin, revealing distinct antagonist binding modes and inactive conformations.

The paper identifies teichuronic acid oligosaccharides as the receptor for umbrella toxins and shows targeting specificity arises from lectin domain recognition of variable TUA-WTA structures.

This study uses molecular dynamics simulations to analyze how DNA sequences affect the structural stability and binding affinity of the ZTA transcription factor and DNA complex, identifying ZRE 3 as the most stable and affinity-rich sequence.

This study identifies PIN-FORMED auxin transporters as mediators of phenoxyacetic acid herbicide transport and characterizes their molecular mechanism using Cryo-EM structures.

The paper uses X-ray crystallography and hydrogen-deuterium exchange to study insulin analog dynamics, showing faster deuterium exchange and structural insights into modified insulin monomers.

This study identifies two binding sites of the PET tracer MODAG-005 on lipidic α-synuclein fibrils, with the cavity site being more stable and selectively occupied under certain conditions.

This paper determines the structure of the palladin-actin complex using crosslinking, docking, NMR, and SAXS, revealing how palladin stabilizes F-actin at the interface between two actin monomers.

This study shows that BEST1, a chloride channel, is directly activated by extracellular GABA, with structural and functional evidence revealing the mechanism of GABA-induced channel opening.

This paper presents the structure and thermodynamic analysis of the extended RNA recognition motif in hnRNPR-like proteins, revealing a conserved tryptophan cage motif critical for folding and stability.

This study identifies that left-handed glycyl conformations protect against protein aggregation and enhance stability by disrupting beta-strand pairing.

This study determines the structure of USP21 bound to H2AK119ub and identifies phosphorylation-regulated autoinhibition as a mechanism for its activity regulation.

This study shows IP6 binding influences the kinetic switch of the HIV-1 capsid's TVGG motif between coil and helix conformations, essential for pentamer formation.

This study investigates the structural dynamics of DENV2 NS5 interacting with SLA using SPR, HDX-MS, computational modeling, and cryoEM, revealing conformational changes and a conserved binding mode.

The paper investigates the role of the [4Fe-4S] cofactor in MUTYH DNA repair by analyzing cancer variants and solving the enzyme's crystal structure.

This study investigates how Vps5 and Vps17 SNX-BAR proteins assemble with Retromer, revealing a PL motif in Vps5 that binds Vps29 and is essential for membrane tubule association and cargo recycling.

This study uses computational modeling to analyze binding mechanisms of four antibodies against SARS-CoV-2 Omicron variants, revealing distinct dynamic and evolutionary adaptations that influence immune escape.

This paper investigates how the M66I mutation in HIV-1 capsid protein confers resistance to lenacapavir by altering inhibitor binding and viral replication.

This study investigates how StarD4 recognizes PIP2 subtypes and how this recognition affects cholesterol transport kinetics through molecular dynamics and machine learning analysis.

This study reveals the activation mechanism of human mitochondrial ClpP protease through structures showing how inhibitors induce an allosteric transition to the active state, with implications for cancer therapy.

This study identifies how AGR2 chaperone forms a dimer to repress IRE1β dimerization and suppress the UPR by blocking its activating conformation.