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Structure paper

TitleDiscovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Journal, issue, pagesBioorg. Med. Chem., Vol. 25, Page 4876-4886, Year 2017
Publish dateMar 8, 2017 (structure data deposition date)
AuthorsYasui, T. / Yamamoto, T. / Sakai, N. / Asano, K. / Takai, T. / Yoshitomi, Y. / Davis, M. / Takagi, T. / Sakamoto, K. / Sogabe, S. ...Yasui, T. / Yamamoto, T. / Sakai, N. / Asano, K. / Takai, T. / Yoshitomi, Y. / Davis, M. / Takagi, T. / Sakamoto, K. / Sogabe, S. / Kamada, Y. / Lane, W. / Snell, G. / Iwata, M. / Goto, M. / Inooka, H. / Sakamoto, J.I. / Nakada, Y. / Imaeda, Y.
External linksBioorg. Med. Chem. / PubMed:28760529
MethodsX-ray diffraction
Resolution1.58 - 1.86 Å
Structure data

PDB-5x9o:
Crystal structure of the BCL6 BTB domain in complex with Compound 1a
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-5x9p:
Crystal structure of the BCL6 BTB domain in complex with Compound 5
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

Chemicals

ChemComp-80R:
5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-K:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-80L:
3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid

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

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