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TitleDiscovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
Journal, issue, pagesTo Be Published
Publish dateJan 25, 2020 (structure data deposition date)
AuthorsLu, T. / Lu, H.B. / Wang, J. / Han, J. / Xiao, S. / Jiang, H. / Chen, Y. / Yang, F. / Li, Q. / Jiang, H.L. ...Lu, T. / Lu, H.B. / Wang, J. / Han, J. / Xiao, S. / Jiang, H. / Chen, Y. / Yang, F. / Li, Q. / Jiang, H.L. / Chen, K.X. / Lu, W.C. / Lin, H. / Luo, C.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.5715086186 - 2.20017124371 Å
Structure data

PDB-6lu5:
Crystal structure of BPTF-BRD with ligand DCBPin5 bound
Method: X-RAY DIFFRACTION / Resolution: 1.86527732574 Å

PDB-6lu6:
Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound
Method: X-RAY DIFFRACTION / Resolution: 1.97006302049 Å

PDB-7f5c:
Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound
Method: X-RAY DIFFRACTION / Resolution: 1.65004485921 Å

PDB-7f5d:
Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound
Method: X-RAY DIFFRACTION / Resolution: 1.5715086186 Å

PDB-7f5e:
Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound
Method: X-RAY DIFFRACTION / Resolution: 2.20017124371 Å

Chemicals

ChemComp-EUO:
6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine

ChemComp-HOH:
WATER

ChemComp-EUU:
6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine

ChemComp-1IY:
N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine

Source
  • homo sapiens (human)
KeywordsANTITUMOR PROTEIN / BPTF Bromodomain / Lysine acetylation / small-molecule inhibitor / high-throughput screening / BIOSYNTHETIC PROTEIN

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