Structural Biology
@actacrystd.iucr.org
Acta Crystallographica Section D: Structural Biology is a leading structural biology journal published by the IUCr. journals.iucr.org/d
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...
September 16, 2026 at 1:23 PM
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...
The LRR crystallization screen described here enabled structure determination of the Arabidopsis receptor kinase SRF6 ectodomain #CrystallizationScreens #LeucineRichRepeats #Ectodomains doi.org/10.1107/S205...
September 15, 2026 at 1:41 PM
The LRR crystallization screen described here enabled structure determination of the Arabidopsis receptor kinase SRF6 ectodomain #CrystallizationScreens #LeucineRichRepeats #Ectodomains doi.org/10.1107/S205...
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...
September 14, 2026 at 2:02 PM
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...
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...
September 9, 2026 at 2:12 PM
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...
Reposted by Structural Biology
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...
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...
September 7, 2026 at 2:09 PM
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...
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...
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...
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...
September 7, 2026 at 2:09 PM
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...
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...
Reposted by Structural Biology
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!
It was very satisfying to finally see the macro domain of ALC1 that had escaped all previous structures of ALC1-nucleosome complexes!
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...
September 2, 2026 at 2:00 PM
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!
It was very satisfying to finally see the macro domain of ALC1 that had escaped all previous structures of ALC1-nucleosome complexes!
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...
August 27, 2026 at 2:02 PM
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...
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...
August 26, 2026 at 2:21 PM
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...
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...
August 25, 2026 at 1:03 PM
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...
Reposted by Structural Biology
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.
Read about changes that will become the default on July 21, 2027. Transition to this new architecture today.
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.
journals.iucr.org
August 24, 2026 at 6:33 PM
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.
Read about changes that will become the default on July 21, 2027. Transition to this new architecture today.
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...
August 24, 2026 at 1:21 PM
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...
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...
August 20, 2026 at 2:57 PM
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...
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...
August 19, 2026 at 1:22 PM
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...
Reposted by Structural Biology
🚨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
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
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...
journals.iucr.org
August 18, 2026 at 8:12 AM
🚨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
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
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...
August 17, 2026 at 1:46 PM
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...
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...
August 13, 2026 at 1:08 PM
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...
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...
August 12, 2026 at 1:33 PM
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...
Reposted by Structural Biology
📄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...
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
August 12, 2026 at 8:48 AM
📄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...
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...
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...
August 11, 2026 at 1:45 PM
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...
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...
August 10, 2026 at 1:45 PM
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...
Reposted by Structural Biology
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...
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...
August 6, 2026 at 1:53 PM
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...
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...
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...
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...
August 6, 2026 at 1:53 PM
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...
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...
Reposted by Structural Biology
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...
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...
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...
doi.org
August 6, 2026 at 7:41 AM
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...
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...
Reposted by Structural Biology
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...
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...
July 30, 2026 at 2:12 PM
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...
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...