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TitleSelective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Journal, issue, pagesMol. Cancer Ther., Vol. 19, Page 2502-2515, Year 2020
Publish dateJan 29, 2020 (structure data deposition date)
AuthorsMcDonald, G. / Chubukov, V. / Coco, J. / Truskowski, K. / Narayanaswamy, R. / Choe, S. / Steadman, M. / Artin, E. / Padyana, A.K. / Jin, L. ...McDonald, G. / Chubukov, V. / Coco, J. / Truskowski, K. / Narayanaswamy, R. / Choe, S. / Steadman, M. / Artin, E. / Padyana, A.K. / Jin, L. / Ronseaux, S. / Locuson, C. / Fan, Z.P. / Erdmann, T. / Mann, A. / Hayes, S. / Fletcher, M. / Nellore, K. / Rao, S.S. / Subramanya, H. / Reddy, K.S. / Panigrahi, S.K. / Antony, T. / Gopinath, S. / Sui, Z. / Nagaraja, N. / Dang, L. / Lenz, G. / Hurov, J. / Biller, S.A. / Murtie, J. / Marks, K.M. / Ulanet, D.B.
External linksMol. Cancer Ther. / PubMed:33082276
MethodsX-ray diffraction
Resolution1.97 Å
Structure data

PDB-6vnd:
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals

ChemComp-R4P:
1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid

ChemComp-DET:
UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE

ChemComp-DDQ:
DECYLAMINE-N,N-DIMETHYL-N-OXIDE

ChemComp-CL:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / DHODH / OXIDOREDUCTASE / FMN binding / Inhibitor / Mitochondria inner membrane / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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