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Structure paper

TitleThe Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 3911-3939, Year 2021
Publish dateOct 23, 2020 (structure data deposition date)
AuthorsQuiroz, R.V. / Reutershan, M.H. / Schneider, S.E. / Sloman, D. / Lacey, B.M. / Swalm, B.M. / Yeung, C.S. / Gibeau, C. / Spellman, D.S. / Rankic, D.A. ...Quiroz, R.V. / Reutershan, M.H. / Schneider, S.E. / Sloman, D. / Lacey, B.M. / Swalm, B.M. / Yeung, C.S. / Gibeau, C. / Spellman, D.S. / Rankic, D.A. / Chen, D. / Witter, D. / Linn, D. / Munsell, E. / Feng, G. / Xu, H. / Hughes, J.M.E. / Lim, J. / Sauri, J. / Geddes, K. / Wan, M. / Mansueto, M.S. / Follmer, N.E. / Fier, P.S. / Siliphaivanh, P. / Daublain, P. / Palte, R.L. / Hayes, R.P. / Lee, S. / Kawamura, S. / Silverman, S. / Sanyal, S. / Henderson, T.J. / Ye, Y. / Gao, Y. / Nicholson, B. / Machacek, M.R.
External linksJ. Med. Chem. / PubMed:33755451
MethodsX-ray diffraction
Resolution2.43 - 2.52 Å
Structure data

PDB-7kib:
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.52 Å

PDB-7kic:
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-7kid:
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-WFM:
(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-WFS:
(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol

ChemComp-WFV:
(1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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