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Structure paper

TitleSAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Journal, issue, pagesMol. Cancer Ther., Vol. 21, Page 3-15, Year 2022
Publish dateMay 18, 2021 (structure data deposition date)
AuthorsJensen-Pergakes, K. / Tatlock, J. / Maegley, K.A. / McAlpine, I.J. / McTigue, M. / Xie, T. / Dillon, C.P. / Wang, Y. / Yamazaki, S. / Spiegel, N. ...Jensen-Pergakes, K. / Tatlock, J. / Maegley, K.A. / McAlpine, I.J. / McTigue, M. / Xie, T. / Dillon, C.P. / Wang, Y. / Yamazaki, S. / Spiegel, N. / Shi, M. / Nemeth, A. / Miller, N. / Hendrickson, E. / Lam, H. / Sherrill, J. / Chung, C.Y. / McMillan, E.A. / Bryant, S.K. / Palde, P. / Braganza, J. / Brooun, A. / Deng, Y.L. / Goshtasbi, V. / Kephart, S.E. / Kumpf, R.A. / Liu, W. / Patman, R.L. / Rui, E. / Scales, S. / Tran-Dube, M. / Wang, F. / Wythes, M. / Paul, T.A.
External linksMol. Cancer Ther. / PubMed:34737197
MethodsX-ray diffraction
Resolution2.395 - 2.713 Å
Structure data

PDB-7mx7:
PRMT5:MEP50 complexed with inhibitor PF-06939999
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-7mxa:
PRMT5:MEP50 complexed with inhibitor PF-06855800
Method: X-RAY DIFFRACTION / Resolution: 2.713 Å

PDB-7mxc:
PRMT5:MEP50 complexed with adenosine
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

PDB-7mxg:
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800
Method: X-RAY DIFFRACTION / Resolution: 2.395 Å

PDB-7mxn:
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-ZR1:
(1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

ChemComp-HOH:
WATER

ChemComp-ZR4:
7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

ChemComp-ADN:
ADENOSINE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/Transcription / arginine / methyl / transferase / TRANSFERASE-Transcription complex

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