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Structure paper

TitleDiscovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
Journal, issue, pagesJ Hematol Oncol, Vol. 13, Page 141-141, Year 2020
Publish dateDec 23, 2019 (structure data deposition date)
AuthorsLei, K. / Gu, X. / Alvarado, A.G. / Du, Y. / Luo, S. / Ahn, E.H. / Kang, S.S. / Ji, B. / Liu, X. / Mao, H. ...Lei, K. / Gu, X. / Alvarado, A.G. / Du, Y. / Luo, S. / Ahn, E.H. / Kang, S.S. / Ji, B. / Liu, X. / Mao, H. / Fu, H. / Kornblum, H.I. / Jin, L. / Li, H. / Ye, K.
External linksJ Hematol Oncol / PubMed:33087132
MethodsX-ray diffraction
Resolution1.581 - 2.501 Å
Structure data

PDB-6llc:
Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
Method: X-RAY DIFFRACTION / Resolution: 2.501 Å

PDB-6llx:
Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
Method: X-RAY DIFFRACTION / Resolution: 1.581 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-EHL:
5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-GSH:
GLUTATHIONE

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Oxidative stress / GBM / small molecular inhibitor / TRANSFERASE / NQO1 / GSTP1

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