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Structure paper

TitleStructure-Based Design of a Macrocyclic PROTAC.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 59, Page 1727-1734, Year 2020
Publish dateAug 10, 2019 (structure data deposition date)
AuthorsTesta, A. / Hughes, S.J. / Lucas, X. / Wright, J.E. / Ciulli, A.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:31746102
MethodsX-ray diffraction
Resolution3.5 Å
Structure data

PDB-6sis:
Crystal structure of macrocyclic PROTAC 1 in complex with the second bromodomain of human Brd4 and pVHL:ElonginC:ElonginB
Method: X-RAY DIFFRACTION / Resolution: 3.5 Å

Chemicals

ChemComp-LFE:
~{N}-[(5~{S},7~{R},11~{S},23~{S})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{S},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLIGASE / PROTAC COMPLEX / MACROCYCLE / TARGETED DEGRADATION

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