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Structural Biology

@actacrystd.iucr.org
3.3K followers 183 following 370 posts

Acta Crystallographica Section D: Structural Biology is a leading structural biology journal published by the IUCr. journals.iucr.org/d

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Structural Biology @actacrystd.iucr.org · 8h
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 · 29/09/2026
Apologies for the incorrect link: the correct link is 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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Reposted by Structural Biology
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 · 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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Reposted by Structural Biology
Guillaume Gaullier @guillawme.eurosky.social · 02/09/2026
This paper was a nice side quest that started as a random encounter with @hrbridges.bsky.social at the poster session of the 2025 @ccpem.bsky.social Spring Symposium. It was very satisfying to finally see the macro domain of ALC1 that had escaped all previous structures of ALC1-nucleosome complexes!
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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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RCSB Protein Data Bank @rcsbpdb.bsky.social · 24/08/2026
Paper Published about the PDB Beta Archive Read about changes that will become the default on July 21, 2027. Transition to this new architecture today.
journals.iucr.org
Protein Data Bank (PDB) Archive: a new architecture (beta) for scalable, PDBx/mmCIF-based data distribution
wwPDB has extended PDB IDs to 12 characters with a prefix `pdb_' followed by eight alphanumeric characters in lower case (for example pdb_1000axyz). A beta version of the PDB Archive (https://files-beta.wwpdb.org), with extended PDB IDs and an improved directory structure, is now available to help communities adopt extended PDB IDs and the PDBx/mmCIF format.
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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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Protein Data Bank in Europe (PDBe) @pdbeurope.bsky.social · 18/08/2026
🚨Get ready for the future of the PDB Archive! A new publication describes the PDB Beta Archive to support PDB users as they transition to the extended PDB ID and PDBx/mmCIF format. Start preparing for the July 21, 2027 transition. 📄Read here: journals.iucr.org/d/issues/202... #PDB
journals.iucr.org
Protein Data Bank (PDB) Archive: a new architecture (beta) for scalable, PDBx/mmCIF-based data distribution
wwPDB has extended PDB IDs to 12 characters with a prefix `pdb_' followed by eight alphanumeric characters in lower case (for example pdb_1000axyz). A beta version of the PDB Archive (https://files-be...
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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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Reposted by Structural Biology
Protein Data Bank in Europe (PDBe) @pdbeurope.bsky.social · 12/08/2026
📄New recommendations for fragment-screening data usage are here. The white paper summarizes community guidance on the deposition and reuse of structural biology data from fragment screening, hit-to-lead, and lead-optimization studies. ⬇️Read here ⬇️ cdn.rcsb.org/wwpdb/docs/d...
cdn.rcsb.org
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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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Reposted by Structural Biology
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 · 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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Reposted by Structural Biology
Protein Data Bank in Europe (PDBe) @pdbeurope.bsky.social · 06/08/2026
Out now in Journal of Applied Crystallography: mmCIF Validator, automated validation of mmCIF files against the PDBx/mmCIF dictionary Useful for structure deposition prep, biocuration, and automated QC (VS Code extension + Python/CLI) Paper: doi.org/10.1107/S160... Code: github.com/PDBeurope/mm...
doi.org
mmCIF Validator: a comprehensive validation tool for structural biology data files
The mmCIF Validator provides real-time automated validation of mmCIFs against a valid PDBx/mmCIF dictionary. The validator is available as both a Visual Studio Code extension and a standalone Python s...
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Structural Biology Communications @actacrystf.iucr.org · 30/07/2026
A new type of article for Acta F: Protocols The purpose of this new category is to provide to the reader procedures that are sufficiently detailed so other researchers can reproduce the described workflow. Find out more in 'Show me how it's done: introducing Protocols': 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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Reposted by Structural Biology
Structural Biology Communications @actacrystf.iucr.org · 29/07/2026
We're celebrating 20 years of Acta Crystallographica Section F!🎉🥳 Join us by contributing to our celebratory collection of articles, which is now open for submissions! Find out more at journals.iucr.org/special_issu...
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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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Reposted by Structural Biology
RCSB Protein Data Bank @rcsbpdb.bsky.social · 21/07/2026
Big PDB Changes Are One Year Away! On July 21, 2027, wwPDB will fully transition to extended PDB IDs for new depositions and the PDB archive will use a new directory structure based on 12-character extended PDB IDs. Visit wwpdb.org for details.
Be an Early Adopter: 
Transition to the new PDB Beta Archive, 
Extended PDB IDs, and PDBx/mmCIF File Format

The PDB Beta Archive contains all current PDB data and is updated weekly. Visit wwPDB.org for details.
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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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