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TitleGNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 9301-9315, Year 2018
Publish dateMay 14, 2018 (structure data deposition date)
AuthorsWang, S. / Tsui, V. / Crawford, T.D. / Audia, J.E. / Burdick, D.J. / Beresini, M.H. / Cote, A. / Cummings, R. / Duplessis, M. / Flynn, E.M. ...Wang, S. / Tsui, V. / Crawford, T.D. / Audia, J.E. / Burdick, D.J. / Beresini, M.H. / Cote, A. / Cummings, R. / Duplessis, M. / Flynn, E.M. / Hewitt, M.C. / Huang, H.R. / Jayaram, H. / Jiang, Y. / Joshi, S. / Murray, J. / Nasveschuk, C.G. / Pardo, E. / Poy, F. / Romero, F.A. / Tang, Y. / Taylor, A.M. / Wang, J. / Xu, Z. / Zawadzke, L.E. / Zhu, X. / Albrecht, B.K. / Magnuson, S.R. / Bellon, S. / Cochran, A.G.
External linksJ. Med. Chem. / PubMed:30289257
MethodsX-ray diffraction
Resolution1.3 - 2 Å
Structure data

PDB-6df4:
TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-6df7:
TAF1-BD2 in complex with Cpd27 (6-(but-3-en-1-yl)-4-(1-methyl-6-(morpholine-4-carbonyl)-1H-benzo[d]imidazol-4-yl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-G9Y:
6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one

ChemComp-HOH:
WATER

ChemComp-G9V:
6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one

Source
  • oryctolagus cuniculus (rabbit)
KeywordsTranscription/Inhibitor / TAF1-BD2 / Bromodomain / small molecule inhibitor / SBDD / Transcription-Inhibitor complex

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