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TitleDiscovery of ORIC-533, an Orally Bioavailable CD73 Inhibitor That Maintains Activity in High AMP Environments to Reverse Tumor Immunosuppression.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 22145-22169, Year 2025
Publish dateApr 24, 2025 (structure data deposition date)
AuthorsMoore, J.T. / Kawai, H. / Blank, B.R. / Wu, K. / Yeh, C.H. / Zhu, L. / Pham, J.D. / Rew, Y. / Eksterowicz, J. / Salaniwal, S. ...Moore, J.T. / Kawai, H. / Blank, B.R. / Wu, K. / Yeh, C.H. / Zhu, L. / Pham, J.D. / Rew, Y. / Eksterowicz, J. / Salaniwal, S. / Sutimantanapi, D. / Warne, R. / Yuen, N. / Metzger, T.C. / Chan, B. / Huang, T. / Chen, X. / Chen, Y. / Duong, F. / Kong, W. / Chang, J.H. / Sun, J.D. / Zavorotinskaya, T. / Ye, Q. / Al-Sayah, M.A. / Jackson, E. / Junttila, M.R. / Fantin, V.R. / Ndubaku, C.O. / Sun, D. / Du, X. / Friedman, L.S.
External linksJ. Med. Chem. / PubMed:41139398
MethodsX-ray diffraction
Resolution2.28 - 2.43 Å
Structure data

PDB-9r0d:
Human CD73 (ecto 5'-nucleotidase) in complex with compound 7
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-9r0g:
Human CD73 (ecto 5'-nucleotidase) in complex with compound 21
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-9r0h:
Human CD73 (ecto 5'-nucleotidase) in complex with compound 6 (ORIC-533)
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

PDB-1jcf:
MREB FROM THERMOTOGA MARITIMA, TRIGONAL

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

PDB-1jcg:
MREB FROM THERMOTOGA MARITIMA, AMPPNP

PDB-1jch:
Crystal Structure of Colicin E3 in Complex with its Immunity Protein

Source
  • homo sapiens (human)
KeywordsHYDROLASE / 5'-NUCLEOTIDASE / PHOSPHATASE / INHIBITOR

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