EMD-52750

Single-particle
2.86 Å
EMD-52750
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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-52750
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3D volume (map.gz) Experimental metadata (xml) Experimental Metadata (cif.gz)
Map-only Validation report (pdf.gz) Map-only Validation report (cif.gz) Map-only Validation report (xml.gz)
Map and PDB model 9i93 summary report (pdf.gz) Map and 9i93 FULL report (pdf.gz)
EMICSS annotations (xml)

Cryo-EM structure of Shigella flexneri LptDE bound by a Bicyclic peptide molecule (Compound 2)

EMD-52750

Single-particle
2.86 Å
EMD-52750
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: S. flexneri LPS assembly complex LptDE bound to Bicyclic molecule Compound 2
Fitted models: 9i93

Deposition Authors: Allyjaun S , Newman H , Dunbar E, Hardwick SW, Chirgadze DY, van den Berg B, Hubbard J
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: