6HM0

Crystal structure of human BRD9 bromodomain in complex with a PROTAC

Summary for 6HM0

• Entry DOI: 10.2210/pdb6hm0/pdb
• Descriptor: Bromodomain-containing protein 9, (2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide (3 entities in total)
• Functional Keywords: protac, lysine-acetylated histone binding, chromatin regulator, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 30405.84

Authors

Hughes, S.J.,Zoppi, V.,Ciulli, A. (deposition date: 2018-09-11, release date: 2019-01-16, Last modification date: 2024-01-24)

• Primary citation: Zoppi, V.,Hughes, S.J.,Maniaci, C.,Testa, A.,Gmaschitz, T.,Wieshofer, C.,Koegl, M.,Riching, K.M.,Daniels, D.L.,Spallarossa, A.,Ciulli, A.; Iterative Design and Optimization of Initially Inactive Proteolysis Targeting Chimeras (PROTACs) Identify VZ185 as a Potent, Fast, and Selective von Hippel-Lindau (VHL) Based Dual Degrader Probe of BRD9 and BRD7.; J.Med.Chem., 62:699-726, 2019; PubMed: 30540463; DOI: 10.1021/acs.jmedchem.8b01413

Experimental method

X-RAY DIFFRACTION (2.4 Å)