5DIU

The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid

Summary for 5DIU

Entry DOI	10.2210/pdb5diu/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid (3 entities in total)
Functional Keywords	fk-506 binding domain, hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, ligand selectivity, isomerase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: Q13451
Total number of polymer chains	1
Total formula weight	14772.96
Authors	Gaali, S.,Feng, X.,Sippel, C.,Bracher, A.,Hausch, F. (deposition date: 2015-09-01, release date: 2016-03-23, Last modification date: 2024-01-10)
Primary citation	Gaali, S.,Feng, X.,Hahle, A.,Sippel, C.,Bracher, A.,Hausch, F. Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J.Med.Chem., 59:2410-2422, 2016 Cited by PubMed: 26954324 DOI: 10.1021/acs.jmedchem.5b01355 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.3 Å)

Structure validation