Acta Crystallographica Section D-Structural Biology

Article	Citations
Are the St John's wort Hyp-1 superstructures different?	444
Comparison of two crystal polymorphs of NowGFP reveals a new conformational state trapped by crystal packing	220
EMhub: a web platform for data management and on-the-fly processing in scientific facilities	84
Structural visualization of transient interactions between the cis-acting acyltransferase and acyl carrier protein of the salinomycin modular polyketide synthase	59
Using graphlet degree vectors to predict atomic displacement parameters in protein structures	51
Structure of the Fab fragment of a humanized 5E5 antibody to a cancer-specific Tn-MUC1 epitope	51
Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals	49
Identifying and avoiding radiation damage in macromolecular crystallography	45
Data collection from crystals grown in microfluidic droplets	40
X-ray diffraction and in vivo studies reveal the quinary structure of Trypanosoma cruzi nucleoside diphosphate kinase 1: a novel helical oligomer structure	39
The crystal structure of CbpD clarifies substrate-specificity motifs in chitin-active lytic polysaccharide monooxygenases	37
Structural flexibility of Toscana virus nucleoprotein in the presence of a single-chain camelid antibody	35
Updated restraint dictionaries for carbohydrates in the pyranose form	34
A scalable strategy to solve structures of PDZ domains and their complexes	34
Structures of permuted halves of a modern ribose-binding protein	27
Crystal structure of DNA polymerase I from Thermus phage G20c	27
Structures of α-galactosaminidases from the CAZy GH114 family and homologs defining a new GH191 family of glycosidases	26
Exploring ligand dynamics in protein crystal structures with ensemble refinement	26
Structural characterization of the ACDC domain from ApiAP2 proteins, a potential molecular target against apicomplexan parasites	25
On bias, variance, overfitting, gold standard and consensus in single-particle analysis by cryo-electron microscopy	24
The crystal structure of the N-terminal domain of the backbone pilin LrpA reveals a new closure-and-twist motion for assembling dynamic pili in Ligilactobacillus ruminis	24
The three-dimensional structure of Drosophila melanogaster (6–4) photolyase at room temperature	22
A radical approach to radicals	21
A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat	21
Overall protein structure quality assessment using hydrogen-bonding parameters	20

Analysis and validation of overall N-glycan conformation in Privateer	19
An alternative conformation of the N-terminal loop of human dihydroorotate dehydrogenase drives binding to a potent antiproliferative agent	18
Raw diffraction data are our ground truth from which all subsequent workflows develop	17
Medical contrast agents as promising tools for biomacromolecular SAXS experiments	15
Statistical analyses of the oxidized P-clusters in MoFe proteins using the bond-valence method: towards their electron transfer in nitrogenases	15
Training undergraduate research assistants with an outcome-oriented and skill-based mentoring strategy	15
Structural studies of β-glucosidase from the thermophilic bacterium Caldicellulosiruptor saccharolyticus	15
On-grid and in-flow mixing for time-resolved cryo-EM	14
Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned	14
Structural and functional analysis of the D-alanyl carrier protein ligase DltA from Staphylococcus aureus Mu50	14
Deciphering the crystal structure of a novel nanobody against the NEIL1 DNA glycosylase	14
Pillar data-acquisition strategies for cryo-electron tomography of beam-sensitive biological samples	14
3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived α-ketoamide inhibitor	14
Crystal structures of the molecular class A β-lactamase TEM-171 and its complexes with tazobactam	13
Notes of a protein crystallographer: the advantages of combining new integrated methods of structure solution with traditional data visuals	13
The T2 structure of polycrystalline cubic human insulin	13
Versatile microporous polymer-based supports for serial macromolecular crystallography	13
Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking	13
Preparation and characterization of inactivated tick-borne encephalitis virus samples for single-particle imaging at the European XFEL	13
Molecular basis of transcriptional repression of anti-CRISPR by anti-CRISPR-associated 2	13
Alexei Vagin (1944–2023)	13
Michael James (1940–2023)	13
Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins	12
Metalloprotein catalysis: structural and mechanistic insights into oxidoreductases from neutron protein crystallography	12
Structures of full-length VanR from Streptomyces coelicolor in both the inactive and activated states	12
eSPC: an online data-analysis platform for molecular biophysics	12
Biochemical and structural insights into an unusual, alkali-metal-independent S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803	12
Secret of Life: Rosalind Franklin, James Watson, Francis Crick, and the discovery of DNA's Double Helix. By Howard Markel. W. W. Norton & Co., 2021. Hardback, pp. 608. ISBN 978-1324002239.	12
Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket	12
Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization	12
Thyroxine hormones visualized by the cryo-EM structure of bovine thyroglobulin	11
Submission of structural biology data for review purposes	11
Direct phasing algorithm for protein crystals with high solvent content using low-resolution diffraction data	11
Best practices for time-resolved serial synchrotron crystallography	11
Cryo-EM reveals binding of linoleic acid to SARS-CoV-2 spike glycoprotein, suggesting an antiviral treatment strategy	11
Structural mechanism of Escherichia coli cyanase	11
The LH–DH module of bacterial replicative helicases is the common binding site for DciA and other helicase loaders	10
The X-ray crystallography phase problem solved thanks to AlphaFold and RoseTTAFold models: a case-study report	10
A new inactive conformation of SARS-CoV-2 main protease	10
Elucidating polymorphs of crystal structures by intensity-based hierarchical clustering analysis of multiple diffraction data sets	10
Structural and functional characterization of a multi-domain GH92 α-1,2-mannosidase from Neobacillus novalis	10
Knowledge-based prediction of DNA hydration using hydrated dinucleotides as building blocks	10
Structural basis of the amidase ClbL central to the biosynthesis of the genotoxin colibactin	10
Crystal structure of the monocupin ring-cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase fromBradyrhizobiumsp.	10
Raynals, an online tool for the analysis of dynamic light scattering	10
Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Corrigendum	9
Modelling covalent linkages in CCP4	9
Native glycosylation and binding of the antidepressant paroxetine in a low-resolution crystal structure of human myeloperoxidase	9
Determination of intracellular protein–ligand binding affinity by competition binding in-cell NMR	9
Dependence of crystallographic atomic displacement parameters on temperature (25–150 K) for complexes of horse liver alcohol dehydrogenase	9

Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects	9
New system for archiving integrative structures	8
Structural basis for substrate recognition in the Phytolacca americana glycosyltransferase PaGT3	8
Glycoside hydrolase subfamily GH5_57 features a highly redesigned catalytic interface to process complex hetero-β-mannans	8
Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography	8
Accelerating crystal structure determination with iterative AlphaFold prediction	8
Structural and biochemical characterization of the novel serpin Iripin-5 from Ixodes ricinus	7
Protein–macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin–sulfonato-calix[8]arene complex	7
XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures	7
Errors in structural biology are not the exception	7
Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding	7
Expression and analysis of the SAM-dependent RNA methyltransferase Rsm22 from Saccharomyces cerevisiae	7
Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase	7
Tomo Live: an on-the-fly reconstruction pipeline to judge data quality for cryo-electron tomography workflows	7
Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking byPseudomonas aeruginosa	7
Dynamics and Kinetics in Structural Biology: Unravelling Function Through Time-Resolved Structural Analysis. By Keith Moffat and Eaton E. Lattman. Wiley, New York, 2023, pp. 288. ISBN 978-1-119	7
Structural and spectrophotometric investigation of two unnatural amino-acid altered chromophores in the superfolder green fluorescent protein	7
Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum	7
VitroJet: new features and case studies	7
The High-Pressure Freezing Laboratory for Macromolecular Crystallography (HPMX), an ancillary tool for the macromolecular crystallography beamlines at the ESRF	7
Polyelectrolyte coating of cryo-EM grids improves lateral distribution and prevents aggregation of macromolecules	7
Restoration of the 3D structure of insect flight muscle from a rotationally averaged 2D X-ray diffraction pattern	7
Crystal structure of the ferredoxin reductase component of carbazole 1,9a-dioxygenase from Janthinobacterium sp. J3	7
The impact of molecular variants, crystallization conditions and the space group on ligand–protein complexes: a case study on bacterial phosphotriesterase	7
Correcting systematic errors in diffraction data with modern scaling algorithms	7
Crystal and solution structures of a novel antimicrobial peptide fromChrysomya megacephala	7
Buccaneer model building with neural network fragment selection	7
Post-translational modifications in the Protein Data Bank	6
The missing link: covalent linkages in structural models	6
Increasing the bulk of the 1TEL–target linker and retaining the 10×His tag in a 1TEL–CMG2-vWa construct improves crystal order and diffraction limits	6
Structural analysis of wild-type and Val120Thr mutant Candida boidinii formate dehydrogenase by X-ray crystallography	6
Drosophila melanogaster frataxin: protein crystal and predicted solution structure with identification of the iron-binding regions	6
Atomic model validation using the CCP-EM software suite	6
Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies	6
Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals	6
The CCP4 suite: integrative software for macromolecular crystallography	6
High-resolution structures of the bound effectors avadomide (CC-122) and iberdomide (CC-220) highlight advantages and limitations of the MsCI4 soaking system	6
Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius	6
Structural and functional analysis of the C-terminal region of Streptococcus gordonii SspB	6
AutoPX: a new software package to process X-ray diffraction data from biomacromolecular crystals	6
Structural features of chloroplast trigger factor determined at 2.6 Å resolution	6
Legionella effector LegA15/AnkH contains an unrecognized cysteine protease-like domain and displays structural similarity to LegA3/AnkD, but differs in host cell localization	5
Towards the standardized presentation and publication of small-angle scattering data from biomolecules in solution	5
Crystal structure of human brain-type fatty acid-binding protein FABP7 complexed with palmitic acid	5
The X-ray crystallography phase problem solved thanks to AlphaFold and RoseTTAFold models: a case-study report. Corrigendum	5
Likelihood-based estimation of substructure content from single-wavelength anomalous diffraction (SAD) intensity data	5
Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography	5
Conformational transition of the Ixodes ricinus salivary serpin Iripin-4	5
Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase	5
Using deep-learning predictions of inter-residue distances for model validation	5
Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA	5
Global fitting of multiple data frames from SEC–SAXS to investigate the structure of next-generation nanodiscs	5
Unravelling the regulation pathway of photosynthetic AB-GAPDH	5
Structural analysis of the sulfatase AmAS from Akkermansia muciniphila	5
Crystal structure of the middle and C-terminal domains of Hsp90α labeled with a coumarin derivative reveals a potential allosteric binding site as a drug target	5
Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation	5
Crystal structure of the putative cell-wall lipoglycan biosynthesis protein LmcA from Mycobacterium smegmatis	5
Analysis of crystallographic phase retrieval using iterative projection algorithms	4
CSSR: assignment of secondary structure to coarse-grained RNA tertiary structures	4
Redeployment of automated MrBUMP search-model identification for map fitting in cryo-EM	4
New restraints and validation approaches for nucleic acid structures in PDB-REDO	4
Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family	4
Scipion Flexibility Hub: an integrative framework for advanced analysis of conformational heterogeneity in cryoEM	4
A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography	4
Structural snapshot of a glycoside hydrolase family 8 endo-β-1,4-glucanase capturing the state after cleavage of the scissile bond	4
Structure-based discovery of an antipsychotic drug, paliperidone, as a modulator of human superoxide dismutase 1: a potential therapeutic target in amyotrophic lateral sclerosis	4
Structural insights into the interaction of papain-like protease 2 from the alphacoronavirus porcine epidemic diarrhea virus and ubiquitin	4
SCOMAP-XD: atomistic deuterium contrast matching for small-angle neutron scattering in biology	4
Jan Drenth (1925–2025)	4
High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms	4
Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family	4
FLEXR: automated multi-conformer model building using electron-density map sampling	4
Racemic crystal structures of A-DNA duplexes	4
Databases for intrinsically disordered proteins	4
Neutron crystallographic refinement with REFMAC5 from the CCP4 suite	4
xia2.multiplex: a multi-crystal data-analysis pipeline	4
MrParse: finding homologues in the PDB and the EBI AlphaFold database for molecular replacement and more	4
Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases	3
Photosystem II: light-dependent oscillation of ligand composition at its active site	3
Direct calculation of cryo-EM and crystallographic model maps for real-space refinement	3

Intracellular drug binding affinities by NMR	3
Improving macromolecular structure refinement with metal-coordination restraints	3
Introduction to the virtual thematic issue on room-temperature biological crystallography	3
From femtoseconds to minutes: time-resolved macromolecular crystallography at XFELs and synchrotrons	3
Crystal structure of a novel homodimericD-allulose 3-epimerase from a Clostridia bacterium	3
The 1.3 Å resolution structure of the truncated group Ia type IV pilin from Pseudomonas aeruginosa strain P1	3
HEIDI: an experiment-management platform enabling high-throughput fragment and compound screening	3
Kinetic and structural studies of the reaction of Escherichia coli dihydrodipicolinate synthase with (S)-2-bromopropionate	3
Neutralization of the anthrax toxin by antibody-mediated stapling of its membrane-penetrating loop	3
Structure of reverse gyrase with a minimal latch that supports ATP-dependent positive supercoiling without specific interactions with the topoisomerase domain	3
The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms	3
A rush to explore protein–ligand electrostatic interaction energy with Charger	3
Structural bases for the higher adherence to ACE2 conferred by the SARS-CoV-2 spike Q498Y substitution	3
Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening	3
30 years of Acta D	3
Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography	3
Two states of a light-sensitive membrane protein captured at room temperature using thin-film sample mounts	3
Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum	3
John D. Westbrook Jr (1957–2021)	3
Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8	3
Characterization of novel mevalonate kinases from the tardigrade Ramazzottius varieornatus and the psychrophilic archaeon Methanococcoides burtonii	2
Validation of electron-microscopy maps using solution small-angle X-ray scattering	2
Using cryo-EM to understand the assembly pathway of respiratory complex I	2
Data- and diversity-driven development of a Shotgun crystallization screen using the Protein Data Bank	2
Crystal structure of a polyglycine hydrolase determined using a RoseTTAFold model	2
CCP4 Cloud for structure determination and project management in macromolecular crystallography	2
Structural and functional characterization of the novel endo-α(1,4)-fucoidanase Mef1 from the marine bacterium Muricauda eckloniae	2
A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip	2
Monitoring reversion of hepatitis C virus-induced cellular alterations by direct-acting antivirals using cryo soft X-ray tomography and infrared microscopy	2
Structural insight into an anti-BRIL Fab as a G-protein-coupled receptor crystallization chaperone	2
Determining the oxidation state of elements by X-ray crystallography	2
Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6	2
Factors affecting macromolecule orientations in thin films formed in cryo-EM	2
What shapes template-matching performance in cryogenic electron tomography in situ?	2
Protonation of histidine rings using quantum-mechanical methods	2
Likelihood-based docking of models into cryo-EM maps	2
Useful experimental aspects of small-wedge synchrotron crystallography for accurate structure analysis of protein molecules	2
Application of sulfur SAD to small crystals with a large asymmetric unit and anomalous substructure	2
Verification: model-free phasing with enhanced predicted models in ARCIMBOLDO_SHREDDER	2
Crystal structure of glycerol kinase from Trypanosoma cruzi, a potential molecular target in Chagas disease	2
Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain	2
Helical filament structure of the DREP3 CIDE domain reveals a unified mechanism of CIDE-domain assembly	2
Native SAD phasing at room temperature	2
The impact of folding modes and deuteration on the atomic resolution structure of hen egg-white lysozyme	2
Structure of a hydrophobic leucinostatin derivative determined by host lattice display	2
Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center	2
Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily	2
Evaluation of automated particle picking for cryogenic electron microscopy using high-precision transmission electron microscope simulation based on a multi-slice method	2
The crystal structure of mycothiol disulfide reductase (Mtr) provides mechanistic insight into the specific low-molecular-weight thiol reductase activity of Actinobacteria	2
Correction of rhodopsin serial crystallography diffraction intensities for a lattice-translocation defect	2
A snapshot love story: what serial crystallography has done and will do for us	2
Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris	2
AlphaFold-guided molecular replacement for solving challenging crystal structures	2
Protein structure prediction by AlphaFold2: are attention and symmetries all you need?	2
Structural and functional characterization of a thermostable secretory phospholipase A2 from Sciscionella marina and its application in liposome biotransformation	2
A case for glycerol as an acceptable additive for single-particle cryoEM samples	2
The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands	2
Current trends in macromolecular model refinement and validation	2
EMinsight: a tool to capture cryoEM microscope configuration and experimental outcomes for analysis and deposition	2
How do I get the most out of my protein sequence using bioinformatics tools?	2