7A6X
Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 56
This is a non-PDB format compatible entry.
Summary for 7A6X
Entry DOI | 10.2210/pdb7a6x/pdb |
Descriptor | Peptidyl-prolyl cis-trans isomerase FKBP5, (2S,9S,12R)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione (3 entities in total) |
Functional Keywords | inhibitor, complex, safit, fkbp, isomerase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 14989.24 |
Authors | Bauder, M.,Meyners, C.,Purder, P.,Merz, S.,Voll, A.,Heymann, T.,Hausch, F. (deposition date: 2020-08-27, 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: 33666419DOI: 10.1021/acs.jmedchem.0c02195 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.67 Å) |
Structure validation
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