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TitleRTx-303, an Orally Bioavailable Pol theta Polymerase Inhibitor That Potentiates PARP Inhibitors in BRCA Mutant Tumors.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 22196-22215, Year 2025
Publish dateAug 15, 2024 (structure data deposition date)
AuthorsChandramouly, G. / Fried, W. / Gordon, J. / Ralph, D. / Keuk, C. / Kumari, S. / Ramanjulu, M. / Auerbacher, W. / Minakhin, L. / Tredinnick, T. ...Chandramouly, G. / Fried, W. / Gordon, J. / Ralph, D. / Keuk, C. / Kumari, S. / Ramanjulu, M. / Auerbacher, W. / Minakhin, L. / Tredinnick, T. / Tiberi, B. / Morton, G. / Betsch, R. / Cai, K.Q. / Vekariya, U.M. / Tyagi, M. / Skorski, T. / Karakashev, S. / Johnson, N. / Childers Jr., W.E. / Chen, X.S. / Pomerantz, R.T.
External linksJ. Med. Chem. / PubMed:41124685
MethodsX-ray diffraction
Resolution2.43 - 3.31 Å
Structure data

PDB-9d6n:
Loop-Deleted DNA Polymerase Theta in Complex with a dsDNA Overhang and an Allostertic Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-9d6o:
Loop-Deleted DNA Polymerase Theta Polymerase Domain in Complex with a dsDNA Overhang and an Allosteric Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.31 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-DG3:
2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE

PDB-1a2c:
Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA

ChemComp-HOH:
WATER

PDB-1a2d:
PYRIDOXAMINE MODIFIED MURINE ADIPOCYTE LIPID BINDING PROTEIN

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsDNA BINDING PROTEIN / DNA Polymerase Theta / DNA Polymerase / Allosteric Inhibitor / Protein-DNA Complex

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