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TitleStructure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency
Journal, issue, pagesTo Be Published
Publish dateDec 20, 2020 (structure data deposition date)
AuthorsLi, Z. / Lu, T. / Chen, P. / Luo, C. / Zgou, B.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.79998842375 - 2.29994028999 Å
Structure data

PDB-7dpn:
Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound
Method: X-RAY DIFFRACTION / Resolution: 1.79998842375 Å

PDB-7dpo:
Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound
Method: X-RAY DIFFRACTION / Resolution: 2.29994028999 Å

Chemicals

ChemComp-HFU:
5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsANTITUMOR PROTEIN / Antitumor; BET proteins; Bromodomain inhibitor; Epigenetic readers

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