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TitleDiscovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 10, Page 1530-1536, Year 2019
Publish dateJul 17, 2019 (structure data deposition date)
AuthorsZhang, H. / Liu, K. / Pu, Q. / Achab, A. / Ardolino, M.J. / Cheng, M. / Deng, Y. / Doty, A.C. / Ferguson, H. / Fradera, X. ...Zhang, H. / Liu, K. / Pu, Q. / Achab, A. / Ardolino, M.J. / Cheng, M. / Deng, Y. / Doty, A.C. / Ferguson, H. / Fradera, X. / Knemeyer, I. / Kurukulasuriya, R. / Lam, Y.H. / Lesburg, C.A. / Martinot, T.A. / McGowan, M.A. / Miller, J.R. / Otte, K. / Biju, P.J. / Sciammetta, N. / Solban, N. / Yu, W. / Zhou, H. / Wang, X. / Bennett, D.J. / Han, Y.
External linksAcs Med. Chem. Lett. / PubMed:31749906
MethodsX-ray diffraction
Resolution2.43 Å
Structure data

PDB-6pu7:
Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide)
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-OY4:
N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / indoleamine / dioxygenase / heme / inhibitor / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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