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TitleIdentification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma.
Journal, issue, pagesSci Rep, Vol. 7, Page 17993-17993, Year 2017
Publish dateAug 22, 2017 (structure data deposition date)
AuthorsDrew, A.E. / Moradei, O. / Jacques, S.L. / Rioux, N. / Boriack-Sjodin, A.P. / Allain, C. / Scott, M.P. / Jin, L. / Raimondi, A. / Handler, J.L. ...Drew, A.E. / Moradei, O. / Jacques, S.L. / Rioux, N. / Boriack-Sjodin, A.P. / Allain, C. / Scott, M.P. / Jin, L. / Raimondi, A. / Handler, J.L. / Ott, H.M. / Kruger, R.G. / McCabe, M.T. / Sneeringer, C. / Riera, T. / Shapiro, G. / Waters, N.J. / Mitchell, L.H. / Duncan, K.W. / Moyer, M.P. / Copeland, R.A. / Smith, J. / Chesworth, R. / Ribich, S.A.
External linksSci Rep / PubMed:29269946
MethodsX-ray diffraction
Resolution1.92 - 2 Å
Structure data

PDB-6arj:
Crystal structure of CARM1 with EPZ022302 and SAH
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-6arv:
Crystal structure of CARM1 with Compound 2 and SAH
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-SAH:
S-ADENOSYL-L-HOMOCYSTEINE

ChemComp-BW4:
methyl 2-[2-{2-chloro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-BW7:
(2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein-inhibitor complex / protein arginine methyltransferase

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