Structural Biology
@actacrystd
Acta Crystallographica Section D: Structural Biology is a leading structural biology journal published by the IUCr. journals.iucr.org/d
A comprehensive overview of how X-ray crystallography, cryo-electron microscopy, micro-electron diffraction and cryo-electron tomography have advanced drug discovery across diverse therapeutic areas is provided #XRayCrystallography #CryoEM #CryoET doi.org/10.1107/S205...
Reanalysis of the XFEL data provide structural evidence that supports the assignment of O6 as a state-specific ligand in the S3 state of photosystem II #KokCycle #PhotosystemII #OxygenEvolution doi.org/10.1107/S205...
The crystal structure of Mycobacterium smegmatis MmpL3 in complex with the inhibitor UPAR-1109 at 2.15 Å resolution provides unprecedented insights into the binding mode of the inhibitor #MmpL3 #Indolecarboxamides #CrystalStructure doi.org/10.1107/S205...
Two methods are described for visualizing the H atoms in cryoEM maps of macromolecules #ShoulderPeakDecomposition #RightLeftDifferenceProfilePlot #ModelIndependentMapDecomposition doi.org/10.1107/S205...
X-ray-induced spectral changes in common crystallization chemicals and mixtures at cryogenic temperature are mapped: spectroscopic changes can be detected at doses as low as 1 kGy #UVVisAbsorptionSpectroscopy #SpecificRadiationDamage #Radiolysis doi.org/10.1107/S205...
The radiolysis of 5-PMUA exhibits a kinetic transition from flux-limited zero-order decay at RT to retarded target-limited first-order decay at 100 K #RadiationDamage #Enzymology #ReactionKinetics doi.org/10.1107/S205...
A radiation-damage study of the protein rubredoxin from Pyrococcus abyssi at resolutions ranging from 0.54 to 0.57 Å is reported @ActaCrystD @IUCr #RadiationDamage #SubAngstromResolution #FeS4ClusterBondLengths doi.org/10.1107/S205...
The connection between beam damage and image resolution in X-ray and electron microscopy is investigated and the characteristics of electron and X-ray radiolysis are compared to obtain insight into the damage process #RadiationDamage #DoseLimitedResolution #Radiolysis doi.org/10.1107/S205...
D52K, S262Y and D52K/S262Y variants of E. coli flavodiiron-type nitric oxide reductase were introduced in a construct lacking the C-terminal rubredoxin domain #FDP #DiIron #Crystallography doi.org/10.1107/S205...
July issue now available: journals.iucr.org/d/issues/202... The cover highlights Scotty, a tool within the Phasertng codebase that leverages Niggli-cell matches to identify similar crystallographic lattices and perform phasing with difference Fourier methods. Read more at doi.org/10.1107/S205...
A comparison between the use of electrons and X-rays for collecting diffraction data from small protein crystals and imaging data from cells and tissues #XRayCrystallography #ElectronCrystallography #ElectronImaging doi.org/10.1107/S205...
Modulating redox states in heme peroxidases in synchrotron and XFEL experiments #HemeEnzymes #TimeResolvedCrystallography #Peroxidases doi.org/10.1107/S205...
The Alphafuser protein complex prediction pipeline combines experimental interaction data with systematic querying of possible combinations of protein partners in a computationally parsimonious manner @unistra #AlphaFold #Complexes #Multimers doi.org/10.1107/S205...
MiCSPARC leverages automated particle picking and fast 3D refinement times in CryoSPARC to determine the structures of both decorated and undecorated microtubules#CryoEM #Microtubules #HelicalReconstructions doi.org/10.1107/S205...
When the wrong protein wins: hidden contaminants in cryo-EM #CryoElectronMicroscopy #ProteinPurification #EColiContaminants doi.org/10.1107/S205...
Building national capabilities in cryo-EM #Proteins #StructuralBiology #CryoEM doi.org/10.1107/S205...
The three-dimensional structure of TANGO2 provides new insights into its molecular function and helps to resolve the ongoing debate regarding whether it functions as a heme-trafficking protein #TANGO2 #TDD #NtnHydrolase doi.org/10.1107/S205...
The structure of endo-1,4-β-xylanase A from Anaerobacterium chartisolvens is the first from the newly defined glycoside hydrolase family 30 subfamily 12 #GlycosideHydrolaseFamily30 #GH30 #GH3012 doi.org/10.1107/S205...
The first crystal structures of the luminal domain of Fsc1 reveal an elongated, modular architecture composed of five tandem fasciclin domains #Fsc1 #FasciclinDomain #AutophagosomeVacuoleFusion doi.org/10.1107/S205...
Structural features of P. mirabilis UreE were determined by protein X-ray crystallography and its nickel-binding capacity was determined by inductively coupled plasma mass spectrometry #Metalloproteins #NickelChaperones #ProteusMirabilis doi.org/10.1107/S205...
The first crystallographic structure of monomeric AcP from E. coli is compared with the intertwined orthorhombic polymorph and a new hexagonal intertwined dimer structure #Acylphosphatases #ProlineIsomerization #3DDomainSwapping doi.org/10.1107/S205...
Our June issue is now available! journals.iucr.org/d/issues/202... The cover highlights a new fusion tool that has been developed to enable the structure determination of G protein-coupled receptors in inactive conformations by cryo-EM. Find out more at doi.org/10.1107/S205...
A new 3D map of TIMP-1 unlocks drug discovery in cancer and multiple sclerosis #TIMP1 #CrystalStructure #Cancer doi.org/10.1107/S205...
The Global Phasing workflow derives and executes experimental strategies for macromolecular crystallography #MacromolecularXRayCrystallography #ExperimentalStrategy #Automation doi.org/10.1107/S205...
ICECREAM bridges earlier self-supervised methods with the recent equivariant imaging framework for cryo-ET reconstruction #CryogenicElectronTomography #SelfSupervisedLearning #MachineLearning doi.org/10.1107/S205...
A better way to estimate molecular orientations and reveal structural heterogeneity in cryo-EM #OrientationEstimation #CryoElectronMicroscopy #BayesianInference doi.org/10.1107/S205...
A practical guide for moving from X‑ray crystallography to cryo‑EM for structural biology #CryoElectronMicroscopyCryoEM #StructuralBiology #SingleParticleAnalysis doi.org/10.1107/S205...
The structure of PITPα complexed with microcolin H demonstrates that microcolins selectively trap PITPα in an open conformation and provides a structural basis for their inhibitory mechanism @ActaCrystD #LipidTransport #CrystalStructure #Inhibitor doi.org/10.1107/S205...
Is it possible to create a program that automatically leads from experimental data to phases of a sufficiently high quality that automatic model-building programs can end with accurate molecular models? #DirectMethods #PattersonMap #ProbabilisticApproach doi.org/10.1107/S205...