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TitleDiscovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 4818-4839, Year 2017
Publish dateAug 15, 2012 (structure data deposition date)
AuthorsKaratas, H. / Li, Y. / Liu, L. / Ji, J. / Lee, S. / Chen, Y. / Yang, J. / Huang, L. / Bernard, D. / Xu, J. ...Karatas, H. / Li, Y. / Liu, L. / Ji, J. / Lee, S. / Chen, Y. / Yang, J. / Huang, L. / Bernard, D. / Xu, J. / Townsend, E.C. / Cao, F. / Ran, X. / Li, X. / Wen, B. / Sun, D. / Stuckey, J.A. / Lei, M. / Dou, Y. / Wang, S.
External linksJ. Med. Chem. / PubMed:28603984
MethodsX-ray diffraction
Resolution1.64 - 2.781 Å
Structure data

PDB-4gmb:
Crystal structure of human WD repeat domain 5 with compound MM-402
Method: X-RAY DIFFRACTION / Resolution: 2.781 Å

PDB-5vfc:
WDR5 bound to inhibitor MM-589
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-9BA:
N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/TRANSCRIPTION INHIBITOR / MLL1 / histone methyltransferase / WD40 / TRANSCRIPTION-TRANSCRIPTION INHIBITOR complex / TRANSCRIPTION/INHIBITOR / inhibitor / complex / WD repeat / TRANSCRIPTION / TRANSCRIPTION-INHIBITOR complex

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