Showing papers in "Structure in 2021"

TL;DR: The authors comprehensively analyzed the location and composition of cholesterol binding sites in the current set of 473 human GPCR structural chains and showed that cholesterol binds similarly in both cryo-EM and X-ray structures.

TL;DR: In this article, the neutralization potency of two antibodies, 1-57 and 2-7, which target the receptor-binding domain (RBD) of the spike, was unaffected by emerging SARS-CoV-2 strains.

TL;DR: In this article, a set of test cases for antibody-antigen docking and affinity prediction is presented, including camelid nanobodies, therapeutic monoclonal antibodies, and broadly neutralizing antibodies targeting viral glycoproteins.

TL;DR: The structure of a cardiac actomyosin complex at 3.8 Å resolution reveals the molecular basis of cardiac diseases caused by missense mutations in myosin and actin proteins.

TL;DR: This minireview demonstrates that fold switchers can regulate biological processes by discussing two proteins, RfaH and KaiB, whose dramatic secondary structure remodeling events directly affect gene expression and a circadian clock, respectively.

TL;DR: In this article, the main protease (Mprotease) is an attractive target for antiviral therapy, but the vast majority of protease inhibitors described thus far are peptidomimetic and bind to the active-site cysteine via a covalent adduct, which is generally pharmacokinetically unfavorable.

TL;DR: In this paper, a method was developed to determine the polarity of actin filaments in cellular cryo-tomograms, and applied it to reveal the actin polarity distribution in focal adhesions.

TL;DR: In this paper, the authors obtained the 3.5-A density map of a potassium-bound hERG channel complexed with astemizole, a well-known hERG inhibitor that increases risk of potentially fatal arrhythmia.

TL;DR: In this article, the OPLS3e force field with the VSGB2.1 solvation model was used for X-ray refinement of Cryo-EM-based structures.

TL;DR: In this paper, the authors employed single-particle cryoelectron microscopy to visualize multiple states of open and closed conformations of S protein at physiological pH 7.4 and nearphysiological pH 6.5 and pH 8.0.

TL;DR: In this article, the crystal structures of Arabidopsis thaliana GLR3.2 ligand-binding domain (LBD) in complex with glycine and methionine to 1.58-and 1.75-A resolution were determined.

TL;DR: The PEDV spike structure, as well as pig polyclonal antibody responses to viral infection, are evaluated and new insights into coronavirus spike stability determinants are provided and the immune landscape of viral spike proteins is explored.

TL;DR: In this paper, an anti-SEB monoclonal antibody (mAb), 6D3, can bind this viral motif at its polybasic (PRRA) insert to inhibit infection in live virus assays.

TL;DR: NMR spectroscopy of partial agonist complexes of the A2A adenosine receptor revealed conformations of the P-I-F activation motif that are distinctly different from full agonists complexes, adding to the structural basis for rationalizing and monitoring partial agonism.

TL;DR: In this article, the authors used inter-dye distance distributions from bulk time-resolved Forster resonance energy transfer as restraints in discrete molecular dynamics simulations to map the conformational space of the α-synuclein monomer.

TL;DR: Deepened disruption of subcellular architecture in primary fibroblasts from a Leigh syndrome patient harboring a disease-causing mutation in USMG5 protein responsible for impaired mitochondrial energy production is demonstrated.

TL;DR: Short-lived crystal structures of the photosensory core modules of the bacteriophytochrome from myxobacterium Stigmatella aurantiaca are presented, showing with atomic precision how the signal progresses from the chromophore, explaining how plants, bacteria, and fungi sense red light.

TL;DR: In this article, two apo structures of the SARS-CoV-2 main protease were determined at ambient temperature by serial femtosecond X-ray crystallography and compared binding modes and energies.

TL;DR: The Worldwide Protein Data Bank (wwPDB) has provided validation reports based on recommendations from community Validation Task Forces for structures in the PDB since 2013 as discussed by the authors, including 2D diagrams of small-molecule ligands and carbohydrates, highlighting geometric validation outcomes.

TL;DR: The Protein Data Bank (PDB) was established in 1971 to archive three-dimensional (3D) structures of biological macromolecules as a public good as mentioned in this paper, providing millions of data consumers around the world with open access to more than 175,000 experimentally determined structures of proteins and nucleic acids (DNA, RNA) and their complexes with one another and small molecule ligands.

TL;DR: In this article, the authors explore two autoinhibition scenarios in the presence and absence of the 14-3-3 dimer in B-Raf and conclude that RBD-CRD can block the KD dimerization surface.

TL;DR: In this paper, the in situ structure of full-length Escherichia coli AcrAB-TolC determined at 7-A resolution by electron cryo-tomography was presented.

TL;DR: In this paper, the authors show that the preprotein clamp of SecA is biased by ATPase domain motions between open and closed clamping states, and that these events prime the translocase for high affinity reception of non-folded preprotein clients.

TL;DR: The crystal structure of the human IRAK3 pseudokinase domain in a closed, pseudoactive conformation is reported and multiple conserved cysteine residues imply a potential redox control of IRAK2 conformation and dimerization.

TL;DR: Combined crystallographic and solution-scattering studies show the enzyme to be conformationally dynamic in a manner distinct among the NEIL glycosylases and provide insight into the unique substrate preference of this enzyme.

TL;DR: In this paper, a structural analysis of Mycobacterium tuberculosis (Mtb) lipid transporter MmpL3 is presented, which provides a rational explanation for resistance variants local to the central drug binding site, and also highlights a potential alternative route to resistance operating within the periplasmic domain.

TL;DR: In this paper, the structure of sIgM-Fc and carryout a systematic comparison to s IgA -Fc were determined. And the structural analysis revealed a remarkably conserved mechanism of JC-templated oligomerization and SC recognition of both IgM and IgA through a highly conserved network of interactions.

TL;DR: A native mass spectrometry (nMS) platform that provides rapid feedback on sample quality and highly streamlined biochemical screening is developed that facilitates cryo-EM studies using structural characterizations of exemplar bacterial transcription complexes as well as the replication-transcription assembly from the SARS-CoV-2 virus that is responsible for the COVID-19 pandemic.

TL;DR: In this paper, the authors summarized the known structural and biochemical information about IMP RNA-binding domains and their RNA preferences, including the respective roles of RNA secondary and protein tertiary structures for specific RNA-protein complexes.

TL;DR: In this paper, the authors employ extensive all-atom molecular dynamics simulations to dissect the complete substrate exchange cycle of the bacterial NO3/NO2- antiporter, NarK, and show that paired basic residues in the binding site prevent the closure of unbound protein and ensure the exchange of two substrates.