EMD-52754

Single-particle
2.48 Å
EMD-52754
3D View Gallery
Deposition: 06/02/2025
Map released: 15/10/2025
Last modified: 05/11/2025
Overview 3D View Sample Experiment Validation Additional data Links
Overview 3D View Sample Experiment Validation Additional data Links

EMD-52754

Archive Files (Depositor)

Primary 3D volume (map.gz) Half-map 1 Half-map 2 (map.gz) Experimental metadata (xml) Experimental metadata (cif.gz)

Validation (wwPDB)

Map-only validation report (pdf.gz) Map-9i97 summary report (pdf.gz) Map-9i97 FULL report (pdf.gz)

EMDB Annotations

EMICSS entry mapping (xml)

EMDB Files

VA raw map (map) VA resolution mask (mrc)

Cryo-EM structure of Shigella flexneri LptDE in complex with a Bicyclic Peptide binder (Compound 12)

EMD-52754

Single-particle
2.48 Å
EMD-52754
3D View Gallery
Deposition: 06/02/2025
Map released: 15/10/2025
Last modified: 05/11/2025
Overview 3D View Sample Experiment Validation Additional data Links
Sample Organism: Shigella flexneri, synthetic construct
Sample: Shigella flexneri LptDE in complex with Bicyclic Peptide Binder (Compound 6)
Fitted models: 9i97

Deposition Authors: Allyjaun S , Dunbar E, Hardwick SW, Chirgadze DY, Hubbard J, van den Berg B, Newman H
High-Throughput Identification and Characterization of LptDE-Binding Bicycle Peptides Using Phage Display and Cryo-EM.
Allyjaun S , Dunbar E, Hardwick SW, Newell S , Holding F , Rowland CE , St Denis MA , Pellegrino S , Arruda Bezerra G , Bournakas N, Chirgadze DY, Cooper L, Paris G , Lewis N, Brown P, Skynner MJ , Dawson MJ, Beswick P, Hubbard J, van den Berg B, Newman H
(2025) J Med Chem , 68 , 21144 - 21155
PUBMED: 41048016
DOI: doi:10.1021/acs.jmedchem.5c00307
ISSN: 0022-2623
ASTM: JMCMAR
Grant Support: