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Structure paper

TitleDiscovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 4358-4368, Year 2017
Publish dateFeb 13, 2017 (structure data deposition date)
AuthorsKamada, Y. / Sakai, N. / Sogabe, S. / Ida, K. / Oki, H. / Sakamoto, K. / Lane, W. / Snell, G. / Iida, M. / Imaeda, Y. ...Kamada, Y. / Sakai, N. / Sogabe, S. / Ida, K. / Oki, H. / Sakamoto, K. / Lane, W. / Snell, G. / Iida, M. / Imaeda, Y. / Sakamoto, J. / Matsui, J.
External linksJ. Med. Chem. / PubMed:28471657
MethodsX-ray diffraction
Resolution1.65 - 2.06 Å
Structure data

PDB-5x4m:
Crystal structure of the BCL6 BTB domain in complex with Compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5x4n:
Crystal structure of the BCL6 BTB domain in complex with Compound 4
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-5x4o:
Crystal structure of the BCL6 BTB domain in complex with Compound 5
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5x4p:
Crystal structure of the BCL6 BTB domain in complex with Compound 6
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-5x4q:
Crystal structure of the BCL6 BTB domain in complex with Compound 7
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-7ZF:
N-phenyl-1,3,5-triazine-2,4-diamine

ChemComp-HOH:
WATER

ChemComp-7ZL:
5-chloro-N4-phenylpyrimidine-2,4-diamine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-YAM:
N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide

ChemComp-7ZO:
5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one

ChemComp-7Z6:
5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one

ChemComp-K:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTranscription/Inhibitor / Transcription Repressor / Transcription-Inhibitor complex

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