Acta Crystallographica Section D-Structural Biology

Article	Citations
Comparison of two crystal polymorphs of NowGFP reveals a new conformational state trapped by crystal packing	824
Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library	97
Structure of the Fab fragment of a humanized 5E5 antibody to a cancer-specific Tn-MUC1 epitope	81
Structural visualization of transient interactions between the cis-acting acyltransferase and acyl carrier protein of the salinomycin modular polyketide synthase	71
Cryo-EM single-particle analysis expanding towards increasingly native samples	63
Limiting the effects of radiation damage in MicroED through dose selection during data processing	60
Completion of partial structures using Patterson maps with the CrysFormer machine-learning model	57
EMhub: a web platform for data management and on-the-fly processing in scientific facilities	53
Using graphlet degree vectors to predict atomic displacement parameters in protein structures	46
Structural flexibility of Toscana virus nucleoprotein in the presence of a single-chain camelid antibody	42
Structures of α-galactosaminidases from the CAZy GH114 family and homologs defining a new GH191 family of glycosidases	37
Structural characterization of the ACDC domain from ApiAP2 proteins, a potential molecular target against apicomplexan parasites	31
Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals	31
Data collection from crystals grown in microfluidic droplets	30
Structural studies of NAD + -dependent methanol dehydrogenase 1 from Bacillus methanolicus MGA3	23
Critical evaluation of three cryo-EM structures of particulate methane monooxygenase by quantum refinement	23
Structures of permuted halves of a modern ribose-binding protein	23
Crystal structure of DNA polymerase I from Thermus phage G20c	21
The crystal structure of CbpD clarifies substrate-specificity motifs in chitin-active lytic polysaccharide monooxygenases	21
Identifying and avoiding radiation damage in macromolecular crystallography	20
Biophysical Chemistry, Second Edition. By Dagmar Klostermeier and Markus G. Rudolph. CRC Press, Boca Raton, 2025, pp. 944. ISBN 9781032060835. Price GBP 57.39 (hardback)	19
Validation of helical symmetry parameters in the EMDB	19
Raw diffraction data are our ground truth from which all subsequent workflows develop	19
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	19
Analysis and validation of overall N-glycan conformation in Privateer	18

Statistical analyses of the oxidized P-clusters in MoFe proteins using the bond-valence method: towards their electron transfer in nitrogenases	18
Overall protein structure quality assessment using hydrogen-bonding parameters	18
An alternative conformation of the N-terminal loop of human dihydroorotate dehydrogenase drives binding to a potent antiproliferative agent	18
Training undergraduate research assistants with an outcome-oriented and skill-based mentoring strategy	18
A cryo-EM processing pipeline for microtubules using CryoSPARC	18
Deciphering the crystal structure of a novel nanobody against the NEIL1 DNA glycosylase	17
3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived α-ketoamide inhibitor	16
Medical contrast agents as promising tools for biomacromolecular SAXS experiments	15
Crystal structure of coagulation factor XII N-terminal domains 1–5	15
Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned	15
Structural studies of β-glucosidase from the thermophilic bacterium Caldicellulosiruptor saccharolyticus	14
Alexei Vagin (1944–2023)	14
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.	14
Radiation damage in sub-Ångström resolution macromolecular crystallography: a low-dose study	14
Michael James (1940–2023)	14
A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands	14
Pillar data-acquisition strategies for cryo-electron tomography of beam-sensitive biological samples	14
Structural study of Nicotiana benthamiana NADPH-dependent thioredoxin reductase C and its molecular mechanism of interaction with 2-Cys peroxiredoxin	13
Crystal structures of the molecular class A β-lactamase TEM-171 and its complexes with tazobactam	13
Probabilistic single-particle cryo-EM ab initio 3D reconstruction in SIMPLE	12
The T2 structure of polycrystalline cubic human insulin	12
Biochemical and structural insights into an unusual, alkali-metal-independent S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803	12
Preparation and characterization of inactivated tick-borne encephalitis virus samples for single-particle imaging at the European XFEL	12
Direct phasing algorithm for protein crystals with high solvent content using low-resolution diffraction data	12
Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket	12
Structural and functional characterization of a multi-domain GH92 α-1,2-mannosidase from Neobacillus novalis	11
Structural basis of the amidase ClbL central to the biosynthesis of the genotoxin colibactin	11
Raynals , an online tool for the analysis of dynamic light scattering	11
Elucidating polymorphs of crystal structures by intensity-based hierarchical clustering analysis of multiple diffraction data sets	11
Knowledge-based prediction of DNA hydration using hydrated dinucleotides as building blocks	11
The LH–DH module of bacterial replicative helicases is the common binding site for DciA and other helicase loaders	11
Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects	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
Crystal structure of the monocupin ring-cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase fromBradyrhizobiumsp.	11
Structures of variants of Escherichia coli flavodiiron-type nitric oxide reductase reveal changes in the di-iron site	11
Breaking barriers: transitioning from X-ray crystallography to cryo-EM for structural studies	10
A short story of the long road to cryo-EM in Portugal	10
Dependence of crystallographic atomic displacement parameters on temperature (25–150 K) for complexes of horse liver alcohol dehydrogenase	10
Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography	10
Alphafuser : a parsimonious approach to predicting higher-order protein complexes	10
Native glycosylation and binding of the antidepressant paroxetine in a low-resolution crystal structure of human myeloperoxidase	10
Accelerating crystal structure determination with iterative AlphaFold prediction	10
Glycoside hydrolase subfamily GH5_57 features a highly redesigned catalytic interface to process complex hetero-β-mannans	10
Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum	9
Correcting systematic errors in diffraction data with modern scaling algorithms	9
VitroJet: new features and case studies	9
Buccaneer model building with neural network fragment selection	9
Tomo Live : an on-the-fly reconstruction pipeline to judge data quality for cryo-electron tomography workflows	9
Errors in structural biology are not the exception	9

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	9
Polyelectrolyte coating of cryo-EM grids improves lateral distribution and prevents aggregation of macromolecules	9
Restoration of the 3D structure of insect flight muscle from a rotationally averaged 2D X-ray diffraction pattern	9
The High-Pressure Freezing Laboratory for Macromolecular Crystallography (HPMX), an ancillary tool for the macromolecular crystallography beamlines at the ESRF	9
Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase	9
Phosphatidylinositol transfer protein α binds microcolins in its open conformation	8
Post-translational modifications in the Protein Data Bank	8
Structural analysis of wild-type and Val120Thr mutant Candida boidinii formate dehydrogenase by X-ray crystallography	8
XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures	8
Deep-learning methods for contrast enhancement and artifact reduction in cryo-electron tomography: a systematic analysis of the state of the art and proposed improvements	8
The impact of molecular variants, crystallization conditions and the space group on ligand–protein complexes: a case study on bacterial phosphotriesterase	8
Structural features of chloroplast trigger factor determined at 2.6 Å resolution	8
Drosophila melanogaster frataxin: protein crystal and predicted solution structure with identification of the iron-binding regions	8
Mechanistic insight into O=O bond formation upon model-independent visualization of the coordination geometry and ligand composition of Mn4Ca cofactor in dark-adapted photosystem II structu	8
X-ray beam effects on metallo-peptides reflect redox events: insights from X-ray absorption spectroscopy measurements on metal complexes of truncated amyloid-β peptides	8
Coupled on-line in crystallo UV–Vis absorption spectroscopy and X-ray crystallography to compare specific radiation damage in metal-containing proteins a	8
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	8
Protein–macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin–sulfonato-calix[8]arene complex	8
Strategies for mitigating radiation damage and improving data completeness in 3D electron diffraction of protein crystals	8
Crystal structures of 40- and 71-substitution variants of hydroxynitrile lyase from rubber tree	7
Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius	7
Crystal structure of Schistosoma mansoni cathepsin D1 in complex with a nanobody reveals the conformation of the propeptide-bound state	7
Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography	7
Automated workflows for strategy computation and data collection at synchrotron beamlines	7
Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals	7
The CCP4 suite: integrative software for macromolecular crystallography	7
Using deep-learning predictions of inter-residue distances for model validation	7
Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase	7
AutoPX: a new software package to process X-ray diffraction data from biomacromolecular crystals	7
The X-ray crystallography phase problem solved thanks to AlphaFold and RoseTTAFold models: a case-study re	7
Towards the standardized presentation and publication of small-angle scattering data from biomolecules in solution	7
Unravelling the regulation pathway of photosynthetic AB-GAPDH	7
The human TIMP-1 unbound structure provides a platform for fragment screening	6
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	6
Conformational transition of the Ixodes ricinus salivary serpin Iripin-4	6
FLEXR: automated multi-conformer model building using electron-density map sampling	6
Structure-based discovery of an antipsychotic drug, paliperidone, as a modulator of human superoxide dismutase 1: a potential therapeutic target in amyotrophic lateral sclerosis	6
Racemic crystal structures of A-DNA duplexes	6
Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation	6
Bayesian perspective for orientation determination in cryo-EM with application to structural heterogeneity analysis	6
Jan Drenth (1925–2025)	6
SCOMAP-XD: atomistic deuterium contrast matching for small-angle neutron scattering in biology	6
Associating protein residues in the literature with structural data	6
Analysis of crystallographic phase retrieval using iterative projection algorithms	5
xia2.multiplex: a multi-crystal data-analysis pipeline	5
Neutron crystallographic refinement with REFMAC5 from the CCP4 suite	5
Kinetic and structural studies of the reaction of Escherichia coli dihydrodipicolinate synthase with (S)-2-bromopropionate	5
Quantifying distributions of cryo-EM projections	5
Scipion Flexibility Hub: an integrative framework for advanced analysis of conformational heterogeneity in cryoEM	5
Crystal structures of Fsc1, a novel autophagy factor that mediates autophagosome–vacuole fusion in fission yeast	5
Off-target structural insights: ArnA and AcrB in bacterial membrane-protein cryo-EM analysis	5
30 years of Acta D	5
Improving macromolecular structure refinement with metal-coordination restraints	5
Efficient high-resolution refinement in cryo-EM with stochastic gradient descent	5
A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography	5
HEIDI: an experiment-management platform enabling high-throughput fragment and compound screening	5
High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms	5
Structure of reverse gyrase with a minimal latch that supports ATP-dependent positive supercoiling without specific interactions with the topoisomerase domain	5
Reminiscences of Phil Bourne (1953–2026) and the IUCr	4
Verification: model-free phasing with enhanced predicted models in ARCIMBOLDO_SHREDDER	4
Useful experimental aspects of small-wedge synchrotron crystallography for accurate structure analysis of protein molecules	4
Structural bases for the higher adherence to ACE2 conferred by the SARS-CoV-2 spike Q498Y substitution	4
From femtoseconds to minutes: time-resolved macromolecular crystallography at XFELs and synchrotrons	4
Crystal structure of a novel homodimericD-allulose 3-epimerase from a Clostridia bacterium	4
The 1.3 Å resolution structure of the truncated group Ia type IV pilin from Pseudomonas aeruginosa strain P1	4
Photosystem II: light-dependent oscillation of ligand composition at its active site	4
Structural and functional characterization of a thermostable secretory phospholipase A2 from Sciscionella marina and its application in liposome biotransformation	4
A snapshot love story: what serial crystallography has done and will do for us	4
Crystal structure of a polyglycine hydrolase determined using a RoseTTAFold model	4
Characterization of novel mevalonate kinases from the tardigrade Ramazzottius varieornatus and the psychrophilic archaeon Methanococcoides burtonii	4
Structural and functional characterization of the novel endo-α(1,4)-fucoidanase Mef1 from the marine bacterium Muricauda eckloniae	4
Introduction to the virtual thematic issue on room-temperature biological crystallography	4
CryoLike : a Python package for cryo-electron microscopy image-to-structure likelihood calculations	4
Optimal 1TEL–target protein linker character is target protein-dependent	4
Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases	4
Perspective on structure predictions of disorder	4
CCP4 Cloud for structure determination and project management in macromolecular crystallography	4
Crystal structure of glycerol kinase from Trypanosoma cruzi, a potential molecular target in Chagas disease	4
Correction of rhodopsin serial crystallography diffraction intensities for a lattice-translocation defect	4
Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris	4

SASBDB reaches 5000 data sets: empowering open science and next-generation SAS analysis	4
Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening	4
Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8	4
Direct calculation of cryo-EM and crystallographic model maps for real-space refinement	4
The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms	4
Using cryo-EM to understand the assembly pathway of respiratory complex I	3
AlphaFold -guided molecular replacement for solving challenging crystal structures	3
The crystal structure of mycothiol disulfide reductase (Mtr) provides mechanistic insight into the specific low-molecular-weight thiol reductase activity of Actinobacteria	3
Decision-making in serial crystallography: a simple test to quickly determine whether sufficient data have been collected	3
Q -score as a reliability measure for protein, nucleic acid and small-molecule atomic coordinate models derived from 3DEM maps	3
Likelihood-based docking of models into cryo-EM maps	3
Structural insight into an anti-BRIL Fab as a G-protein-coupled receptor crystallization chaperone	3
Damage-limited resolution for X-ray and electron microscopy of organic specimens	3
Application of sulfur SAD to small crystals with a large asymmetric unit and anomalous substructure	3
Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center	3
Updating direct methods V. Phasing when triplet invariants are estimated via the Patterson map	3
Structure of a hydrophobic leucinostatin derivative determined by host lattice display	3
Protonation of histidine rings using quantum-mechanical methods	3
Native SAD phasing at room temperature	3
Radiation-induced peroxide rupture and its temperature-dependent repair probed by homogeneous X-ray irradiation	3
Reconstructing biological molecules with help from video gamers	3
Validation of electron-microscopy maps using solution small-angle X-ray scattering	3
What shapes template-matching performance in cryogenic electron tomography in situ?	3
Cryo-EM reveals ArnA contamination during purification of a ciliary protein complex	2
Room-temperature serial synchrotron crystallography of Drosophila cryptochrome	2
Time-Resolved Methods in Structural Biology, Methods in Enzymology Volume 709. Edited by Peter Moody and Hanna Kwon. Academic Press, New York, 2024, pp. 412. ISBN-10 044331456X, ISBN-13 978-044	2
Crystal-packing analysis of translation initiation factor 2 reveals new details of its function	2
Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily	2
Myricetin-bound crystal structure of the SARS-CoV-2 helicase NSP13 facilitates the discovery of novel natural inhibitors	2
The crystal structure of an uncharacterized domain of P113 from Plasmodium falciparum	2
Welcoming two new Co-editors	2
Cryo-EM structure of adeno-associated virus 4 at 2.2 Å resolution	2
Robust and automatic beamstop shadow outlier rejection: combining crystallographic statistics with modern clustering under a semi-supervised learning strategy	2
Factors affecting macromolecule orientations in thin films formed in cryo-EM	2
Enhanced capabilities for multi-crystal data collection based on double mesh scans	2
Perspective on a large-scale ligand structure characterization	2
The crystal structure of EpHTT, a hydroxycinnamoyl transferase from Echinacea purpurea	2
The ManifoldEM method for cryo-EM: a step-by-step breakdown accompanied by a modern Python implementation	2
Continuous development in macromolecular crystallography with CCP4	2
Expansion of the diversity of dispersin scaffolds	2
Wolfram Saenger (1939–2026)	2
Likelihood-based signal and noise analysis for docking of models into cryo-EM maps	2
Structure–function studies of a novel laccase-like multicopper oxidase fromThermothelomyces thermophilaprovide insights into its biological role	2
EMinsight : a tool to capture cryoEM microscope configuration and experimental outcomes for analysis and deposition	2
Structural dynamics of IDR interactions in human SFPQ and implications for liquid–liquid phase separation	2
Current trends in macromolecular model refinement and validation	2
Structure and stability of an apo thermophilic esterase that hydrolyzes polyhydroxybutyrate	2
Structural analysis of LpqY, a substrate-binding protein from the SugABC transporter of Mycobacterium tuberculosis, provides insights into its trehalose specificity	2
Polo-like kinase 1–inhibitor co-complex structures via the surface-entropy reduction approach and a DARPin-assisted approach	2
Room-temperature X-ray data collection enabled the structural determination of statin-bound CYP105A1	2
Duplicate entries in the Protein Data Bank: how to detect and handle them	2
Single-support serial isomorphous replacement phasing	2
Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7	2