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TitleComplexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 4832-4850, Year 2018
Publish dateDec 19, 2017 (structure data deposition date)
AuthorsBorkin, D. / Klossowski, S. / Pollock, J. / Miao, H. / Linhares, B.M. / Kempinska, K. / Jin, Z. / Purohit, T. / Wen, B. / He, M. ...Borkin, D. / Klossowski, S. / Pollock, J. / Miao, H. / Linhares, B.M. / Kempinska, K. / Jin, Z. / Purohit, T. / Wen, B. / He, M. / Sun, D. / Cierpicki, T. / Grembecka, J.
External linksJ. Med. Chem. / PubMed:29738674
MethodsX-ray diffraction
Resolution1.82 - 1.9 Å
Structure data

PDB-6bxy:
Menin in complex with MI-1481
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-6by8:
Menin in complex with MI-1482
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-EEV:
4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-FNV:
4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

Source
  • homo sapiens (human)
KeywordsProtein Binding / Transcription / inhibitor

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