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Structural Biology @actacrystd.iucr.org · 15h

Crystal structures of the pilus-specific sortase from Enterococcus faecalis provide insights into loop dynamics and substrate recognition and expands our understanding of sortase-mediated pilus polymerization #Enterococci #EbpPili #Sortases doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 30/09/2026

The prion-like domain from the plant thermosensory protein EARLY FLOWERING 3 was used as a model hydrogel for structural characterization by SAXS #LiquidLiquidPhaseSeparation #EARLYFLOWERING3 #SAXS doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 29/09/2026

A fully automated, unattended pipeline for on-the-fly cryo-EM data processing is presented that serves as a robust diagnostic tool for high-throughput facility environments #CryoEM #SPA #OnTheFlyProcessing doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 28/09/2026

After analyzing 72 structures of NcAA9D, it was found that X-rays progressively reduce the active-site copper from Cu(II) to Cu(I), forming an electron-density feature that is easy to misinterpret #RadiationDamage #LPMOs #DioxygenBinding doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 24/09/2026

LsAA9A crystals were chemically reduced with or without saccharide substrate prior to low-dose X-ray data collection, revealing small but reproducible geometry differences across key states in the lytic polysaccharide monooxygenase catalytic pathway doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 23/09/2026

PETIMOT is a new neural network that learns to directly predict the most likely directions of motion for a protein from its sequence and 3D structure #ProteinFlexibility #MotionBenchmark #SE3EquivariantGNN doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 22/09/2026

SURFER is a lightweight, GPU-accelerated extension for UCSF ChimeraX that enables rapid semantic differentiation of membrane or membrane-mimic density from macromolecular signal #CryoEM #Segmentation #Membrane doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 21/09/2026

Crystal structures of AetF in complex with tryptoline and 8-bromotryptoline reveal the structural basis of regioselective halogenation and suggest two potential pathways to the formation of 6,8-dibromotryptoline #TryptophanHalogenases #Bromination doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 17/09/2026

Scotty can also be used to perform a PDB-wide analysis of lattice coincidences. The results demonstrate that lattice-level analysis provides a valuable perspective on macromolecular self-association. #Nonisomorphism #PDBAnnotation #Oligomerization doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 16/09/2026

Scotty can rapidly scan a metric-space index of the PDB archive for closely and distantly related crystal forms and will serve to rapidly phase these structures by difference FFT #Nonisomorphism #NiggliCell #CrystallographicContaminants doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 15/09/2026

The LRR crystallization screen described here enabled structure determination of the Arabidopsis receptor kinase SRF6 ectodomain #CrystallizationScreens #LeucineRichRepeats #Ectodomains doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 14/09/2026

Characterization of Dpo31 from the marine bacteriophage Carin-1 reveals that this protein displays a typical, although divergent, tail-spike protein fold #MarinePhages #Podoviruses #EPSDepolymerases doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 09/09/2026

Exploration of the acetyl-pyrrole scaffold led to the identification of BAZ2A-binding compounds assuming a peculiar, almost enclosed, conformation, as determined by X-ray crystallography #BAZ2A #Bromodomains #XRayCrystallography doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 07/09/2026

September issue is now available: journals.iucr.org/d/issues/202... The cover highlights the determination of the highest resolution structure in the PDB at 0.43 Å resolution. Electron-density maps reveal extensive deformation electron density. Read more at doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 27/08/2026

Theoretical advances have led to a procedure for automatic solution of macromolecular structures with up to ~6000 non-H atoms in the ASU, resolutions up to 2.3 Å and heavy atoms in the unit cell #DirectMethods #PattersonMap #ProbabilisticApproach doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 26/08/2026

Monte Carlo neutron ray-tracing simulations of TOF–Laue neutron macromolecular crystal diffraction using the McStas software package were performed for the upcoming NMX Macromolecular Diffractometer at the European Spallation Source doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 25/08/2026

Direct structural evidence is provided for the complex of human citrate synthase and human mitochondrial malate dehydrogenase 2, which is part of the larger proposed citric acid cycle metabolon @JMU @uofsandiego #Metabolons #SAXS #MalateDehydrogenase doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 24/08/2026

AlignPCA-2D is a principal component analysis-space Euclidean vector alignment method for fast, interpretable 2D classification in cryo-EM #3DReconstructionAndImageProcessing #SingleParticleCryoEM doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 20/08/2026

Studies using adenylate kinase provide guidelines for minimizing radiation artifacts in time-resolved X-ray solution-scattering experiments on multipurpose SAXS beamlines #TimeResolvedXRaySolutionScattering #SmallAngleXRayScattering #RadiationDamage doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 19/08/2026

A method for identifying potentially oxidatively damaged cysteines by interrogating the accuracy of the built model within the electron density and the geometry of the difference density peaks surrounding a cysteine #RadiationDamage doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 17/08/2026

Through extensive classification of a previously deposited cryoEM dataset, a previously unresolved ALC1–nucleosome complex characterized by a more open conformation of ALC1 was identified #DNADamageResponse #ChromatinRemodeling #ALC1 doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 13/08/2026

The first reported crystallographic analysis of a β-lactamase in complex with the clinically relevant cephalosporin cefdinir was obtained using serial cryo-crystallography #SerialCrystallography #CTXM14 #Cefdinir doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 12/08/2026

The photoisomerization of the retinylidene protonated Schiff base in human retinol-binding protein II is described, along with the role of water molecules in this process #ProteinDesign #RhodopsinMimic #SingleCrystalPhotolysis doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 11/08/2026

A new fusion tag can be used to solve a high-resolution structure of a GPCR by cryo-EM and resolve a small-molecule antagonist #GProteinCoupledReceptor #CryoEM #FusionTag doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 10/08/2026

The structure of PIP4K2A in complex with 422A, a potent dual PIP4K2A/2B inhibitor with improved metabolic stability, is used to define molecular features that govern isoform-dependent inhibitor binding within the PIP4K family #LipidKinases #PIP4K doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 06/08/2026

August issue is out! journals.iucr.org/d/issues/202... The cover highlights SURFER, a lightweight GPU-accelerated extension for UCSF ChimeraX that enables rapid semantic differentiation of membrane or membrane-mimic density from macromolecular signal in cryo-EM maps. More at doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 30/07/2026

A quantitative framework for assessing the cost and utilization of high-end scientific equipment, with a particular application to cryo-electron microscopes in structural biology #EquipmentCostModelling #QueueingTheory #CryoElectronMicroscopy doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 29/07/2026

Structural studies provide a better understanding of the residues involved in substrate binding and catalysis in a GH5_5 cellulase from Thermoascus aurantiacus #Transglycosylation #Cellulase #GH55Family doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 28/07/2026

The first crystal structure of gasdermin D bound to a rationally designed peptide ligand reveals peptide engagement at a previously underexplored exosite #GasderminD #Exosite #CyclicPeptides doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 27/07/2026

To freeze or not to freeze: insights into enzyme crystal structures at room temperature #UrocanateReductase #RoomTemperatureCrystallography #ActiveSiteAnionInteractions doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 23/07/2026

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...

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Structural Biology @actacrystd.iucr.org · 22/07/2026

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...

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Structural Biology @actacrystd.iucr.org · 21/07/2026

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...

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Structural Biology @actacrystd.iucr.org · 20/07/2026

Two methods are described for visualizing the H atoms in cryoEM maps of macromolecules #ShoulderPeakDecomposition #RightLeftDifferenceProfilePlot #ModelIndependentMapDecomposition doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 16/07/2026

The effects of different linkers in fusions of the protein crystallization chaperone 1TEL with target proteins on crystallization were investigated #TELSAM #DARPin #ETV6 doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 15/07/2026

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...

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Structural Biology @actacrystd.iucr.org · 14/07/2026

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...

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Structural Biology @actacrystd.iucr.org · 13/07/2026

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...

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Structural Biology @actacrystd.iucr.org · 09/07/2026

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...

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Structural Biology @actacrystd.iucr.org · 08/07/2026

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...

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Structural Biology @actacrystd.iucr.org · 07/07/2026

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...

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Structural Biology @actacrystd.iucr.org · 24/06/2026

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...

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Structural Biology @actacrystd.iucr.org · 23/06/2026

Modulating redox states in heme peroxidases in synchrotron and XFEL experiments #HemeEnzymes #TimeResolvedCrystallography #Peroxidases doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 22/06/2026

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...

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Structural Biology @actacrystd.iucr.org · 18/06/2026

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...

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Structural Biology @actacrystd.iucr.org · 17/06/2026

When the wrong protein wins: hidden contaminants in cryo-EM #CryoElectronMicroscopy #ProteinPurification #EColiContaminants doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 16/06/2026

Building national capabilities in cryo-EM #Proteins #StructuralBiology #CryoEM doi.org/10.1107/S205...

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Structural Biology @actacrystd.iucr.org · 15/06/2026

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...

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Structural Biology @actacrystd.iucr.org · 11/06/2026

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...

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Structural Biology @actacrystd.iucr.org · 10/06/2026

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...

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