9EU8

The FK1 domain of FKBP51 in complex with SAFit-analog 15h

This is a non-PDB format compatible entry.

Summary for 9EU8

• Entry DOI: 10.2210/pdb9eu8/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate (3 entities in total)
• Functional Keywords: fkbp51, inhibitor, complex, isomerase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 29069.40

Authors

Meyners, C.,Buffa, V.,Hausch, F. (deposition date: 2024-03-27, release date: 2024-06-12)

• Primary citation: Buffa, V.,Meyners, C.,Sugiarto, W.O.,Bauder, M.,Gaali, S.,Hausch, F.; 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.; Chemmedchem, :e202400264-e202400264, 2024; PubMed: 38818693; DOI: 10.1002/cmdc.202400264

Experimental method

X-RAY DIFFRACTION (2.3 Å)