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Structure paper

TitlePharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Journal, issue, pagesCancer Cell, Vol. 27, Page 589-602, Year 2015
Publish dateDec 6, 2014 (structure data deposition date)
AuthorsBorkin, D. / He, S. / Miao, H. / Kempinska, K. / Pollock, J. / Chase, J. / Purohit, T. / Malik, B. / Zhao, T. / Wang, J. ...Borkin, D. / He, S. / Miao, H. / Kempinska, K. / Pollock, J. / Chase, J. / Purohit, T. / Malik, B. / Zhao, T. / Wang, J. / Wen, B. / Zong, H. / Jones, M. / Danet-Desnoyers, G. / Guzman, M.L. / Talpaz, M. / Bixby, D.L. / Sun, D. / Hess, J.L. / Muntean, A.G. / Maillard, I. / Cierpicki, T. / Grembecka, J.
External linksCancer Cell / PubMed:25817203
MethodsX-ray diffraction
Resolution1.59 - 1.86 Å
Structure data

PDB-4x5y:
Menin in complex with MI-503
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-4x5z:
menin in complex with MI-136
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

Chemicals

ChemComp-3XW:
4-methyl-1-(1H-pyrazol-4-ylmethyl)-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-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-3XY:
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/inhibitor / PROTEIN BINDING-INHIBITOR COMPLEX

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