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
Two crystallographic fragment-screening campaigns against SARS-CoV-2 NSP1 identified 21 hits from 192 screened fragments, the highest hit rate reported for Nsp1 to date #XRayCrystallography #SARSCoV2 #CrystallographicFragmentScreening doi.org/10.1107/S205...
November 13, 2025 at 3:08 PM
Two crystallographic fragment-screening campaigns against SARS-CoV-2 NSP1 identified 21 hits from 192 screened fragments, the highest hit rate reported for Nsp1 to date #XRayCrystallography #SARSCoV2 #CrystallographicFragmentScreening doi.org/10.1107/S205...
Calculating the FSC curve on the Å−3 scale provides a balanced distribution of Fourier coefficients per shell, yielding more statistically equivalent values than working with the conventional scale #FSCCurve #ResolutionShells #InverseCubicResolution doi.org/10.1107/S205...
November 12, 2025 at 3:13 PM
Calculating the FSC curve on the Å−3 scale provides a balanced distribution of Fourier coefficients per shell, yielding more statistically equivalent values than working with the conventional scale #FSCCurve #ResolutionShells #InverseCubicResolution doi.org/10.1107/S205...
Citizen scientists playing the biochemistry video game Foldit are correcting errors in the PDB to improve our public knowledgebase of protein structure #Foldit #PDBREDO #CitizenScience doi.org/10.1107/S205...
November 11, 2025 at 1:43 PM
Citizen scientists playing the biochemistry video game Foldit are correcting errors in the PDB to improve our public knowledgebase of protein structure #Foldit #PDBREDO #CitizenScience doi.org/10.1107/S205...
Our November issue is available at journals.iucr.org/d/issues/202...
On the cover: recent studies demonstrate that the range of samples suitable for cryo-EM single-particle analysis is expanding towards increasingly more native samples. Read the review at shorturl.at/mitjg
On the cover: recent studies demonstrate that the range of samples suitable for cryo-EM single-particle analysis is expanding towards increasingly more native samples. Read the review at shorturl.at/mitjg
November 5, 2025 at 1:29 PM
Our November issue is available at journals.iucr.org/d/issues/202...
On the cover: recent studies demonstrate that the range of samples suitable for cryo-EM single-particle analysis is expanding towards increasingly more native samples. Read the review at shorturl.at/mitjg
On the cover: recent studies demonstrate that the range of samples suitable for cryo-EM single-particle analysis is expanding towards increasingly more native samples. Read the review at shorturl.at/mitjg
Acta Cryst. D Structural Biology Section Editor Charles S. Bond contributes a Perspective on this article @ActaCrystD @IUCr #AlphaFold2 #DisorderPrediction #LowPLDDT doi.org/10.1107/S205...
October 22, 2025 at 2:10 PM
Acta Cryst. D Structural Biology Section Editor Charles S. Bond contributes a Perspective on this article @ActaCrystD @IUCr #AlphaFold2 #DisorderPrediction #LowPLDDT doi.org/10.1107/S205...
The reduced unit-cell dimensions of cryo crystals of statin-bound CYP105A1 resulted in increased symmetry interactions, which induced cis–trans conversion of the C-terminal peptide bond of Pro142 #CYP105A1 #CytochromeP450 #Statins doi.org/10.1107/S205...
October 21, 2025 at 2:50 PM
The reduced unit-cell dimensions of cryo crystals of statin-bound CYP105A1 resulted in increased symmetry interactions, which induced cis–trans conversion of the C-terminal peptide bond of Pro142 #CYP105A1 #CytochromeP450 #Statins doi.org/10.1107/S205...
Major modes of behavior within low-pLDDT regions were identified through a survey of human proteome predictions provided by the AlphaFold Protein Structure Database #AlphaFold2 #StructurePrediction #ConditionalFolding doi.org/10.1107/S205...
October 20, 2025 at 12:43 PM
Major modes of behavior within low-pLDDT regions were identified through a survey of human proteome predictions provided by the AlphaFold Protein Structure Database #AlphaFold2 #StructurePrediction #ConditionalFolding doi.org/10.1107/S205...
Unintended proteins can easily sneak into experiments, but cryo-EM shows surprising power to uncover these `off-target' proteins in great detail #CryoEM #ArnA #AcrB doi.org/10.1107/S205...
October 9, 2025 at 2:56 PM
Unintended proteins can easily sneak into experiments, but cryo-EM shows surprising power to uncover these `off-target' proteins in great detail #CryoEM #ArnA #AcrB doi.org/10.1107/S205...
A principled framework is provided for identifying the number of structurally meaningful classes in cryo-EM data sets #CryoEM #3DClassification #StructuralHeterogeneity doi.org/10.1107/S205...
October 8, 2025 at 1:29 PM
A principled framework is provided for identifying the number of structurally meaningful classes in cryo-EM data sets #CryoEM #3DClassification #StructuralHeterogeneity doi.org/10.1107/S205...
A comprehensive validation process for helical symmetry parameters in the EMDB examines their consistency by combining high-throughput computational evaluation with manual verification #CryoEM #Validation #HelicalSymmetry doi.org/10.1107/S205...
October 7, 2025 at 12:39 PM
A comprehensive validation process for helical symmetry parameters in the EMDB examines their consistency by combining high-throughput computational evaluation with manual verification #CryoEM #Validation #HelicalSymmetry doi.org/10.1107/S205...
October issue is now available! journals.iucr.org/d/issues/202...
The cover highlights the article on categorizing prediction modes within low-pLDDT regions of AlphaFold2 structures from the Richardson lab @duke-university.bsky.social : doi.org/10.1107/S205...
Image credit: Chistopher Williams
The cover highlights the article on categorizing prediction modes within low-pLDDT regions of AlphaFold2 structures from the Richardson lab @duke-university.bsky.social : doi.org/10.1107/S205...
Image credit: Chistopher Williams
October 2, 2025 at 1:58 PM
October issue is now available! journals.iucr.org/d/issues/202...
The cover highlights the article on categorizing prediction modes within low-pLDDT regions of AlphaFold2 structures from the Richardson lab @duke-university.bsky.social : doi.org/10.1107/S205...
Image credit: Chistopher Williams
The cover highlights the article on categorizing prediction modes within low-pLDDT regions of AlphaFold2 structures from the Richardson lab @duke-university.bsky.social : doi.org/10.1107/S205...
Image credit: Chistopher Williams
S. Narasinga Rao and Manuel Soriano Garcia remember Rengachary Parthasarathy (1939-2025) doi.org/10.1107/S205...
September 15, 2025 at 3:08 PM
S. Narasinga Rao and Manuel Soriano Garcia remember Rengachary Parthasarathy (1939-2025) doi.org/10.1107/S205...
40- and 71-substitution variants of hydroxynitrile lyase demonstrate the essential role of distant, indirectly acting residues to catalysis in α/β-hydrolase enzymes @UMNews #EngineeredProteins #HydroxynitrileLyases #HydrolaseFold doi.org/10.1107/S205...
September 11, 2025 at 1:20 PM
40- and 71-substitution variants of hydroxynitrile lyase demonstrate the essential role of distant, indirectly acting residues to catalysis in α/β-hydrolase enzymes @UMNews #EngineeredProteins #HydroxynitrileLyases #HydrolaseFold doi.org/10.1107/S205...
The role of the hinge-loop composition in domain swapping in the c-Src SH3 domain has been studied by interchanging residues in the RT and n-Src loops between two SH3 domains #SH3Domains #DDomainSwapping #HingeLoop doi.org/10.1107/S205...
September 10, 2025 at 2:07 PM
The role of the hinge-loop composition in domain swapping in the c-Src SH3 domain has been studied by interchanging residues in the RT and n-Src loops between two SH3 domains #SH3Domains #DDomainSwapping #HingeLoop doi.org/10.1107/S205...
By integrating cutting-edge technologies and workflows, XFBLD-Platform addresses key challenges in fragment-based lead discovery, such as throughput, accuracy and data management #FragmentBasedLeadDiscovery #ProteinCrystallography #FragmentScreening doi.org/10.1107/S205...
September 9, 2025 at 2:46 PM
By integrating cutting-edge technologies and workflows, XFBLD-Platform addresses key challenges in fragment-based lead discovery, such as throughput, accuracy and data management #FragmentBasedLeadDiscovery #ProteinCrystallography #FragmentScreening doi.org/10.1107/S205...
The three-dimensional structure of the β2-microglobulin-BBM.1 antibody complex lays the groundwork for rational antibody design #Beta2Microglobulin #Antibody #SingleChainVariableFragment doi.org/10.1107/S205...
September 8, 2025 at 1:23 PM
The three-dimensional structure of the β2-microglobulin-BBM.1 antibody complex lays the groundwork for rational antibody design #Beta2Microglobulin #Antibody #SingleChainVariableFragment doi.org/10.1107/S205...
The September issue is here! tinyurl.com/bdeby9au
The cover highlights XFBLD-Platform, a crystallographic fragment-screening platform at Shanghai Synchrotron Radiation Facility. Find out more at tinyurl.com/36rzxazr
The cover highlights XFBLD-Platform, a crystallographic fragment-screening platform at Shanghai Synchrotron Radiation Facility. Find out more at tinyurl.com/36rzxazr
September 3, 2025 at 1:56 PM
The September issue is here! tinyurl.com/bdeby9au
The cover highlights XFBLD-Platform, a crystallographic fragment-screening platform at Shanghai Synchrotron Radiation Facility. Find out more at tinyurl.com/36rzxazr
The cover highlights XFBLD-Platform, a crystallographic fragment-screening platform at Shanghai Synchrotron Radiation Facility. Find out more at tinyurl.com/36rzxazr
Jeroen Mesters remembers Rolf Hilgenfeld (1954-2025) doi.org/10.1107/S205...
August 28, 2025 at 12:55 PM
Jeroen Mesters remembers Rolf Hilgenfeld (1954-2025) doi.org/10.1107/S205...
John Helliwell reviews Time-Resolved Methods in Structural Biology (Methods in Enzymology Volume 709) doi.org/10.1107/S205...
August 27, 2025 at 12:59 PM
John Helliwell reviews Time-Resolved Methods in Structural Biology (Methods in Enzymology Volume 709) doi.org/10.1107/S205...
In 216 ligand-bound structures of human FABP isoforms, many at better than 1.2 Å resolution, an estimated 15% of the ligands had a different chemical composition to that expected #StructureBasedDrugDesign #FattyAcidBindingProteins #LigandBinding doi.org/10.1107/S205...
August 26, 2025 at 1:26 PM
In 216 ligand-bound structures of human FABP isoforms, many at better than 1.2 Å resolution, an estimated 15% of the ligands had a different chemical composition to that expected #StructureBasedDrugDesign #FattyAcidBindingProteins #LigandBinding doi.org/10.1107/S205...
A set of 229 crystal structures of human and mouse FABPs are reported with a median resolution of 1.2 Å, 216 of which have a ligand bound. Many structures also have additional affinity data. #IsoformSpecificity #CrystalPathologies #LigandBinding doi.org/10.1107/S205...
August 21, 2025 at 12:51 PM
A set of 229 crystal structures of human and mouse FABPs are reported with a median resolution of 1.2 Å, 216 of which have a ligand bound. Many structures also have additional affinity data. #IsoformSpecificity #CrystalPathologies #LigandBinding doi.org/10.1107/S205...
The influence of fatty acids and inhibitors on the conformational flexibility and bicelle/membrane association of human FABP4 was studied using NMR and a preparation completely free of endogenous ligands #NMRDynamics #MicelleAndBicelleBinding doi.org/10.1107/S205...
August 20, 2025 at 2:26 PM
The influence of fatty acids and inhibitors on the conformational flexibility and bicelle/membrane association of human FABP4 was studied using NMR and a preparation completely free of endogenous ligands #NMRDynamics #MicelleAndBicelleBinding doi.org/10.1107/S205...
A comprehensive statistical analysis of how Q-scores are related to reported resolution, based on ∼10 000 EMDB maps and associated PDB atomic coordinate models archived in the EMDB #CryoEM #QScores #Validation doi.org/10.1107/S205...
August 19, 2025 at 12:19 PM
A comprehensive statistical analysis of how Q-scores are related to reported resolution, based on ∼10 000 EMDB maps and associated PDB atomic coordinate models archived in the EMDB #CryoEM #QScores #Validation doi.org/10.1107/S205...
How can you find consistent biological 3D structures in heavily contaminated electron microscopy data sets without using any prior knowledge? #CryoEM #SingleParticle #Reconstruction doi.org/10.1107/S205...
August 18, 2025 at 1:10 PM
How can you find consistent biological 3D structures in heavily contaminated electron microscopy data sets without using any prior knowledge? #CryoEM #SingleParticle #Reconstruction doi.org/10.1107/S205...
Elspeth Garman highlights a triumvirate of papers from the Lead Discovery Department at F. Hoffmann-La Roche Ltd in Basel, Switzerland presenting a detailed multi-faceted study of fatty acid-binding protein (FABP) structures doi.org/10.1107/S205...
August 11, 2025 at 2:03 PM
Elspeth Garman highlights a triumvirate of papers from the Lead Discovery Department at F. Hoffmann-La Roche Ltd in Basel, Switzerland presenting a detailed multi-faceted study of fatty acid-binding protein (FABP) structures doi.org/10.1107/S205...