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TitleStructure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.
Journal, issue, pagesJ Enzyme Inhib Med Chem, Vol. 37, Page 1773-1811, Year 2022
Publish dateMay 13, 2022 (structure data deposition date)
AuthorsRohrig, U.F. / Majjigapu, S.R. / Vogel, P. / Reynaud, A. / Pojer, F. / Dilek, N. / Reichenbach, P. / Ascencao, K. / Irving, M. / Coukos, G. ...Rohrig, U.F. / Majjigapu, S.R. / Vogel, P. / Reynaud, A. / Pojer, F. / Dilek, N. / Reichenbach, P. / Ascencao, K. / Irving, M. / Coukos, G. / Michielin, O. / Zoete, V.
External linksJ Enzyme Inhib Med Chem / PubMed:35758198
MethodsX-ray diffraction
Resolution2.551 Å
Structure data

PDB-7zv3:
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472
Method: X-RAY DIFFRACTION / Resolution: 2.551 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-RCT:
4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Dioxygenase / Heme-containing enzyme / Structure-based drug design / Triazole / Small-molecule inhibitor

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