Browse integrated structural biology datasets combining multiple experimental and computational techniques.
Organism: Gloeobacter violaceus
Years: ~2019–2023
Status: Public
Pentameric ligand-gated ion channel GLIC; cryo-EM structures in nanodiscs, lipid binding analysis, integrated with MD and earlier X-ray/SANS.
Cryo-EM
X-ray
SANS
Biophysics
MD
Modelling
Organism: Bacterial pLGIC (DeCLIC)
Years: ~2022–2025
Status: Public
Pentameric ion channel DeCLIC with accessory N-terminal domain; cryo-EM structures in nanodiscs, Ca²⁺ binding in NTD and ECD, interpreted with previous SAS and MD.
Cryo-EM
SAXS
Biophysics
MD
Modelling
Organism: Human MUC2 domain
Years: ~2021–2024
Status: Public
Second CysD domain (CysD2) from intestinal mucin MUC2; NMR solution structure, SAXS and MS/MST to understand mucin network organisation and cross-linking.
SAXS
NMR
MS / Proteomics
Biophysics
Modelling
Organism: Staphylococcus aureus
Years: ~2022–2025
Status: Public
Central AAA⁺ protease MecA/ClpC/ClpP from S. aureus; near-atomic cryo-EM structure, integrated with AF modelling and functional assays.
Cryo-EM
MS / Proteomics
Biophysics
Modelling
Organism: Bacterial 70S ribosome, EF-G, FusB
Years: ~2022–2024
Status: Public
Ribosome-bound EF-G stalled by fusidic acid and rescued by FusB; time-resolved cryo-EM "movie" combined with kinetics and MS quantification.
Cryo-EM
MS / Proteomics
Biophysics
Modelling
Organism: Small molecule surfactant (C10)
Years: ~2023–2025
Status: Public
Sodium caprate (C10) aggregation; small-angle scattering data and final CG-MD snapshots for multiple conditions, packaged as one dataset.
SAXS
SANS
MD
Organism: Human/Mouse tissue samples
Years: ~2022–2024
Status: Public
Spatial transcriptomics data matched with MALDI-MSI for comprehensive tissue section analysis; 19 tissue sections combining gene expression and molecular distribution.
Spatial Transcriptomics
MS / Proteomics
Bioinformatics
Organism: Saccharomyces cerevisiae
Years: ~2020–2021
Status: Public
Comprehensive structure and functional adaptations of the yeast nuclear pore complex using cross-linking mass spectrometry and integrative modeling.
MS / Proteomics
Cryo-EM
Modelling
Organism: Streptococcal antigens / human IgG
Years: ~2023–2025
Status: Public
Epitope mapping combining cross-linking mass spectrometry (XL-MS) with structural modeling; Sidewinder approach for identification and structural interpretation of protein epitopes.
MS / Proteomics
Modelling
Organism: Streptococcus pyogenes
Years: ~2023–2024
Status: Public
Multimodal mass spectrometry identifies a conserved protective epitope in S. pyogenes Streptolysin O; combines multiple MS strategies for epitope discovery and validation.
MS / Proteomics
Biophysics
Modelling
Organism: S. pyogenes M1 / Human IgG
Years: ~2019–2021
Status: Public
Structural determination of M1 protein interactions with human IgG using integrative structural biology; XL-MS, HDX-MS and computational modelling.
MS / Proteomics
Biophysics
Modelling
Organism: Gram-positive bacteria / Human complement MAC
Years: ~2019–2020
Status: Public
In vivo cross-linking mass spectrometry of the Complement System MAC assembled on live Gram-positive bacteria; structural proteomics in native context.
MS / Proteomics
Modelling
Organism: S. pyogenes / Human IgG
Years: ~2023–2025
Status: Public
Combined systems antigenomics-serology workflow for dissecting circulating IgG against streptococcal pathogens.
MS / Proteomics
Modelling
Bioinformatics
Organism: S. pyogenes / Human plasminogen
Years: ~2022–2024
Status: Public
Structural proteomics and kinetics of Streptolysin O accelerating plasminogen-to-plasmin conversion.
MS / Proteomics
Biophysics
Modelling
Organism: Host–pathogen systems
Years: ~2020–2023
Status: Public
AP combined with XL-MS for identification and structural modeling of host–pathogen protein–protein complexes.
MS / Proteomics
Modelling
Organism: Human actin/tubulin / TRiC
Years: ~2020–2022
Status: Public
Snapshots of actin and tubulin folding inside the TRiC chaperonin; near-atomic cryo-EM structures.
Cryo-EM
Modelling
Organism: Mammalian Sec61/TRAP
Years: ~2021–2023
Status: Public
Molecular view of ER membrane remodeling by the Sec61/TRAP translocon; cryo-EM + MD.
Cryo-EM
MD
Modelling
Organism: Human ApoA-I / HDL
Years: ~2019–2020
Status: Public
HDX-MS and structural analysis of ApoA-I amyloidogenic variants in small HDL; cholesterol efflux.
MS / Proteomics
Biophysics
Modelling
Organism: Human N-Myc / Aurora A
Years: ~2020–2022
Status: Public
N-Myc MB0-MBI region interacts with Aurora kinase A N-lobe; multitechnique structural and proteomics.
MS / Proteomics
Biophysics
Modelling
Organism: Brassicaceae (field-collected)
Years: ~2024–2025
Status: Public
Multimodal MS and NMR profiling of glucosinolate diversity across seven Brassicaceae species.
MS / Proteomics
NMR
Organism: Human immune cells
Years: ~2024–2026
Status: Public
Multimodal proteomics, lipidomics and microscopy of extracellular vesicle subpopulations.
MS / Proteomics
Bioinformatics
Organism: Bacilladnaviruses
Years: ~2024–2025
Status: Public
Integrative cryo-EM and computational modelling of CRESS-DNA bacilladnavirus structure and diversity.
Cryo-EM
Modelling
Organism: Deinococcus radiodurans
Years: ~2024–2025
Status: Public
Correlative live fluorescence imaging and in situ cryo-ET of bacterial septation.
Cryo-EM
Bioinformatics
Organism: Human IAPP (amylin)
Years: ~2024–2025
Status: Public
Cryo-EM and computational analysis of IAPP fibril polymorphism for peptide-based therapeutics.
Cryo-EM
Modelling
Bioinformatics
Organism: Tick-borne encephalitis virus
Years: ~2024–2025
Status: Public
Cryo-EM combined with glycoproteomics for TBEV structural and functional characterisation.
Cryo-EM
MS / Proteomics
Organism: Human / Rat IAPP
Years: ~2024–2025
Status: Public
Cryo-EM with spatial mass spectrometry for IAPP fibril polymorphism and human–rat cross-aggregation.
Cryo-EM
MS / Proteomics
Modelling
Organism: TBEV / Mammalian cells
Years: ~2024–2025
Status: Public
Multimodal cryo-EM, glycoproteomics and microscopy for TBEV–host interface.
Cryo-EM
MS / Proteomics
Bioinformatics
Organism: Vibrio cholerae (MakA)
Years: ~2021–2022
Status: Public
Cryo-EM, microscopy and NMR for MakA cytotoxin structure and oligomerization.
Cryo-EM
NMR
Modelling
Organism: Lignin (plant-derived polymer)
Years: ~2024–2025
Status: Public
NMR and SAXS for molecular-level characterisation of plasticized lignins.
NMR
SAXS
Modelling
Organism: Human BTK
Years: ~2023–2024
Status: Public
Multimodal characterisation of BTK-targeting fluorescent probe: glycoproteomics/MS, microscopy, NMR.
MS / Proteomics
NMR
Bioinformatics
Organism: Anaerobic RNR (bacterial)
Years: ~2024
Status: Public
Cryo-EM plus structural proteomics for nucleotide regulation in anaerobic RNRs.
Cryo-EM
MS / Proteomics
Organism: Microsporidia
Years: ~2024
Status: Public
Cryo-EM and glycoproteomics of microsporidian infection machinery.
Cryo-EM
MS / Proteomics
Organism: Human MALT1
Years: ~2023–2024
Status: Public
NMR and AlphaFold combined for MALT1 allostery and structural dynamics.
NMR
Bioinformatics
Modelling
Organism: Protein–surfactant model systems
Years: ~2020
Status: Public
NMR, SAXS and SANS for integrative characterisation of protein–surfactant complexes.
NMR
SAXS
SANS
Modelling
Organism: Amyloid fibrils (synthetic compounds)
Years: ~2018
Status: Public
Cryo-EM and NMR for amyloid-binding pyridine-fused 2-pyridones.
Cryo-EM
NMR
Modelling
