8CCF

The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)pent-4-enoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid

Summary for 8CCF

Entry DOI	10.2210/pdb8ccf/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase FKBP5, 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid (3 entities in total)
Functional Keywords	fkbp51, safit, inhibitor, isomerase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	14660.21
Authors	Meyners, C.,Knaup, F.H.,Walz, C.M.,Hausch, F. (deposition date: 2023-01-27, release date: 2023-04-26, Last modification date: 2024-02-07)
Primary citation	Knaup, F.H.,Meyners, C.,Sugiarto, W.O.,Wedel, S.,Springer, M.,Walz, C.,Geiger, T.M.,Schmidt, M.,Sisignano, M.,Hausch, F. Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66:5965-5980, 2023 Cited by PubMed: 37058391 DOI: 10.1021/acs.jmedchem.3c00249 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation