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Structure paper

TitleMenin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia.
Journal, issue, pagesJ. Clin. Invest., Vol. 130, Page 981-997, Year 2020
Publish dateMar 3, 2019 (structure data deposition date)
AuthorsKlossowski, S. / Miao, H. / Kempinska, K. / Wu, T. / Purohit, T. / Kim, E. / Linhares, B.M. / Chen, D. / Jih, G. / Perkey, E. ...Klossowski, S. / Miao, H. / Kempinska, K. / Wu, T. / Purohit, T. / Kim, E. / Linhares, B.M. / Chen, D. / Jih, G. / Perkey, E. / Huang, H. / He, M. / Wen, B. / Wang, Y. / Yu, K. / Lee, S.C. / Danet-Desnoyers, G. / Trotman, W. / Kandarpa, M. / Cotton, A. / Abdel-Wahab, O. / Lei, H. / Dou, Y. / Guzman, M. / Peterson, L. / Gruber, T. / Choi, S. / Sun, D. / Ren, P. / Li, L.S. / Liu, Y. / Burrows, F. / Maillard, I. / Cierpicki, T. / Grembecka, J.
External linksJ. Clin. Invest. / PubMed:31855575
MethodsX-ray diffraction
Resolution1.24025624626 Å
Structure data

PDB-6o5i:
Menin in complex with MI-3454
Method: X-RAY DIFFRACTION / Resolution: 1.24025624626 Å

Chemicals

ChemComp-LMY:
~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide

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

ChemComp-SO4:
SULFATE ION

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / Menin-inhibitor complex

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