9EY3

The FK1 domain of FKBP51 in complex with (3S,11S,11aS)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxylic acid

This is a non-PDB format compatible entry.

Summary for 9EY3

• Entry DOI: 10.2210/pdb9ey3/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxylic acid (3 entities in total)
• Functional Keywords: fkbp51, inhibitor, complex, isomerase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 14477.40

Authors

Meyners, C.,Krajczy, P.,Hausch, F. (deposition date: 2024-04-09, release date: 2024-06-12)

• Primary citation: Krajczy, P.,Meyners, C.,Repity, M.,Hausch, F.; Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins.; Chemistry, :e202401405-e202401405, 2024; PubMed: 38837733; DOI: 10.1002/chem.202401405

Experimental method

X-RAY DIFFRACTION (1.16 Å)