8CHI

Human FKBP12 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one

Summary for 8CHI

Entry DOI	10.2210/pdb8chi/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase FKBP1A, (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywords	fkbp12, inhibitor, isomerase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	24730.02
Authors	Meyners, C.,Purder, P.L.,Hausch, F. (deposition date: 2023-02-08, release date: 2023-09-06, Last modification date: 2023-10-11)
Primary citation	Purder, P.L.,Meyners, C.,Sugiarto, W.O.,Kolos, J.,Lohr, F.,Gebel, J.,Nehls, T.,Dotsch, V.,Lermyte, F.,Hausch, F. Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3:2478-2486, 2023 Cited by PubMed: 37772190 DOI: 10.1021/jacsau.3c00241 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation