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TitleImplementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 541-549, Year 2020
Publish dateDec 19, 2019 (structure data deposition date)
AuthorsParr, B.T. / Pastor, R. / Sellers, B.D. / Pei, Z. / Jaipuri, F.A. / Castanedo, G.M. / Gazzard, L. / Kumar, S. / Li, X. / Liu, W. ...Parr, B.T. / Pastor, R. / Sellers, B.D. / Pei, Z. / Jaipuri, F.A. / Castanedo, G.M. / Gazzard, L. / Kumar, S. / Li, X. / Liu, W. / Mendonca, R. / Pavana, R.K. / Potturi, H. / Shao, C. / Velvadapu, V. / Waldo, J.P. / Wu, G. / Yuen, P.W. / Zhang, Z. / Zhang, Y. / Harris, S.F. / Oh, A.J. / DiPasquale, A. / Dement, K. / La, H. / Goon, L. / Gustafson, A. / VanderPorten, E.C. / Mautino, M.R. / Liu, Y.
External linksAcs Med. Chem. Lett. / PubMed:32292562
MethodsX-ray diffraction
Resolution3.18 Å
Structure data

PDB-6vbn:
Crystal Structure of hTDO2 bound to inhibitor GNE1
Method: X-RAY DIFFRACTION / Resolution: 3.18 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-QVY:
1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/Inhibitor / TDO / IDO / cancer immunotherapy / heme / OXIDOREDUCTASE / OXIDOREDUCTASE-Inhibitor complex

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