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Structure paper

TitleDiscovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 6064-6080, Year 2024
Publish dateDec 20, 2023 (structure data deposition date)
AuthorsCottrell, K.M. / Briggs, K.J. / Whittington, D.A. / Jahic, H. / Ali, J.A. / Davis, C.B. / Gong, S. / Gotur, D. / Gu, L. / McCarren, P. ...Cottrell, K.M. / Briggs, K.J. / Whittington, D.A. / Jahic, H. / Ali, J.A. / Davis, C.B. / Gong, S. / Gotur, D. / Gu, L. / McCarren, P. / Tonini, M.R. / Tsai, A. / Wilker, E.W. / Yuan, H. / Zhang, M. / Zhang, W. / Huang, A. / Maxwell, J.P.
External linksJ. Med. Chem. / PubMed:38595098
MethodsX-ray diffraction
Resolution2.03 - 2.79 Å
Structure data

PDB-8veo:
Crystal structure of PRMT5:MEP50 in complex with MTA
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-8vet:
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.63 Å

PDB-8veu:
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23
Method: X-RAY DIFFRACTION / Resolution: 2.46 Å

PDB-8vew:
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24
Method: X-RAY DIFFRACTION / Resolution: 2.69 Å

PDB-8vex:
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
Method: X-RAY DIFFRACTION / Resolution: 2.79 Å

PDB-8vey:
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

Chemicals

ChemComp-MTA:
5'-DEOXY-5'-METHYLTHIOADENOSINE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

PDB-1aas:
Unknown entry

ChemComp-CL:
Unknown entry

PDB-1aat:
OXOGLUTARATE-INDUCED CONFORMATIONAL CHANGES IN CYTOSOLIC ASPARTATE AMINOTRANSFERASE

PDB-1aau:
Unknown entry

PDB-1aar:
STRUCTURE OF A DIUBIQUITIN CONJUGATE AND A MODEL FOR INTERACTION WITH UBIQUITIN CONJUGATING ENZYME (E2)

PDB-1aav:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / MTAP-null / SAM / MTA / TRANSFERASE / TRANSFERASE-INHIBITOR complex / MTA-cooperative / inhibitor

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