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TitleDiscovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 8310-8323, Year 2023
Publish dateFeb 7, 2023 (structure data deposition date)
AuthorsDing, J. / Liu, L. / Chiang, Y.L. / Zhao, M. / Liu, H. / Yang, F. / Shen, L. / Lin, Y. / Deng, H. / Gao, J. ...Ding, J. / Liu, L. / Chiang, Y.L. / Zhao, M. / Liu, H. / Yang, F. / Shen, L. / Lin, Y. / Deng, H. / Gao, J. / Sage, D.R. / West, L. / Llamas, L.A. / Hao, X. / Kawatkar, S. / Li, E. / Jain, R.K. / Tallarico, J.A. / Canham, S.M. / Wang, H.
External linksJ. Med. Chem. / PubMed:37307526
MethodsX-ray diffraction
Resolution1.33 - 1.8 Å
Structure data

PDB-8g3c:
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-8g3e:
Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

Chemicals

ChemComp-YJN:
N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-YJR:
(1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide

Source
  • homo sapiens (human)
KeywordsONCOPROTEIN/INHIBITOR / WDR5 / WBM / MYC / small molecule / ONCOPROTEIN-INHIBITOR complex

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