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TitleStructure-Activity Relationship, cellular potency optimization of novel heme-binding Imidazo[5,1-b]thiazoles, imidazo[1,5-a]pyridines and pyrazines as potent IDO inhibitors devoid of Cyp inhibition
Journal, issue, pagesTo Be Published
Publish dateJun 12, 2024 (structure data deposition date)
AuthorsCren, S. / Kimmerlin, T. / Pothier, J. / Boss, C. / Lotz-Jenne, C. / Mac Sweeney, A. / Pouzol, L. / Chavanton-Arpel, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.694 - 2.121 Å
Structure data

PDB-9fon:
Cocrystal structure of Drosophila melangaster TDO with Compound 128
Method: X-RAY DIFFRACTION / Resolution: 2.121 Å

PDB-9foz:
Cocrystal structure of Drosophila melangaster TDO with Compound 128
Method: X-RAY DIFFRACTION / Resolution: 1.694 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

PDB-1ier:
CUBIC CRYSTAL STRUCTURE OF NATIVE HORSE SPLEEN FERRITIN

ChemComp-HOH:
WATER

PDB-1h93:
ACTIVE MUTANT (S215->C) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

Source
  • drosophila melanogaster (fruit fly)
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Inhibitor / heme

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