4JFI

Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione

Summary for 4JFI

Entry DOI	10.2210/pdb4jfi/pdb
Related	4JFJ 4JFK 4JFL 4JFM
Descriptor	Peptidyl-prolyl cis-trans isomerase FKBP5, 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywords	fk-506 binding domain, hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, isomerase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: Q13451
Total number of polymer chains	1
Total formula weight	14591.75
Authors	Wang, Y.,Kirschner, A.,Fabian, A.,Gopalakrishnan, R.,Kress, C.,Hoogeland, B.,Koch, U.,Kozany, C.,Bracher, A.,Hausch, F. (deposition date: 2013-02-28, release date: 2013-08-28, Last modification date: 2024-02-28)
Primary citation	Wang, Y.,Kirschner, A.,Fabian, A.K.,Gopalakrishnan, R.,Kress, C.,Hoogeland, B.,Koch, U.,Kozany, C.,Bracher, A.,Hausch, F. Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56:3922-3935, 2013 Cited by PubMed: 23647266 DOI: 10.1021/jm400087k PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.05 Å)

Structure validation