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TitleMultitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Journal, issue, pagesAcs Pharmacol Transl Sci, Vol. 6, Page 748-770, Year 2023
Publish dateDec 5, 2022 (structure data deposition date)
AuthorsTong, N. / Wong-Roushar, J. / Wallace-Povirk, A. / Shah, Y. / Nyman, M.C. / Katinas, J.M. / Schneider, M. / O'Connor, C. / Bao, X. / Kim, S. ...Tong, N. / Wong-Roushar, J. / Wallace-Povirk, A. / Shah, Y. / Nyman, M.C. / Katinas, J.M. / Schneider, M. / O'Connor, C. / Bao, X. / Kim, S. / Li, J. / Hou, Z. / Matherly, L.H. / Dann 3rd, C.E. / Gangjee, A.
External linksAcs Pharmacol Transl Sci / PubMed:37200803
MethodsX-ray diffraction
Resolution2.06 - 2.48 Å
Structure data

PDB-8fdx:
AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-8fdy:
Human GAR transformylase in complex with GAR substrate and AGF132 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-8fdz:
Human GAR transformylase in complex with GAR substrate and AGF302 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

PDB-8fe0:
Human GAR transformylase in complex with GAR substrate and AGF305 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

Chemicals

ChemComp-GAR:
GLYCINAMIDE RIBONUCLEOTIDE

ChemComp-XRR:
N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid

ChemComp-HOH:
WATER

ChemComp-XSI:
N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid

ChemComp-XSO:
N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid

Source
  • homo sapiens (human)
KeywordsLIGASE / GARFTase / purine biosynthesis / monomer / TRANSFERASE / GARFTas

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