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TitleThe novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.
Journal, issue, pagesLeukemia, Vol. 33, Page 2403-2415, Year 2019
Publish dateFeb 26, 2019 (structure data deposition date)
AuthorsChristian, S. / Merz, C. / Evans, L. / Gradl, S. / Seidel, H. / Friberg, A. / Eheim, A. / Lejeune, P. / Brzezinka, K. / Zimmermann, K. ...Christian, S. / Merz, C. / Evans, L. / Gradl, S. / Seidel, H. / Friberg, A. / Eheim, A. / Lejeune, P. / Brzezinka, K. / Zimmermann, K. / Ferrara, S. / Meyer, H. / Lesche, R. / Stoeckigt, D. / Bauser, M. / Haegebarth, A. / Sykes, D.B. / Scadden, D.T. / Losman, J.A. / Janzer, A.
External linksLeukemia / PubMed:30940908
MethodsX-ray diffraction
Resolution1.52 Å
Structure data

PDB-6qu7:
Crystal structure of human DHODH in complex with BAY 2402234
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

Chemicals

ChemComp-ORO:
OROTIC ACID

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-JJE:
~{N}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide

ChemComp-SO4:
SULFATE ION

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / DHODH

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