7AWX

Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 55

Summary for 7AWX

Entry DOI	10.2210/pdb7awx/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase FKBP5, Macrocyclic SAFit analogue 55 (3 entities in total)
Functional Keywords	inhibitor, complex, safit, fkbp, isomerase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	29411.74
Authors	Bauder, M.,Meyners, C.,Purder, P.,Merz, S.,Voll, A.,Heymann, T.,Hausch, F. (deposition date: 2020-11-09, release date: 2021-03-17, Last modification date: 2024-01-31)
Primary citation	Bauder, M.,Meyners, C.,Purder, P.L.,Merz, S.,Sugiarto, W.O.,Voll, A.M.,Heymann, T.,Hausch, F. Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64:3320-3349, 2021 Cited by PubMed: 33666419 DOI: 10.1021/acs.jmedchem.0c02195 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation