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Structure paper

TitleInhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1).
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 8784-8795, Year 2019
Publish dateMar 26, 2019 (structure data deposition date)
AuthorsRohrig, U.F. / Reynaud, A. / Majjigapu, S.R. / Vogel, P. / Pojer, F. / Zoete, V.
External linksJ. Med. Chem. / PubMed:31525930
MethodsX-ray diffraction
Resolution2.894 Å
Structure data

PDB-6r63:
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0358
Method: X-RAY DIFFRACTION / Resolution: 2.894 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-JTB:
4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Dioxygenase / Heme-containing enzyme / Structure-based drug design / IDO1 inhibitor / Triazole / Small-molecule inhibitor

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