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Structure paper

TitleStructure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Journal, issue, pagesStructure, Vol. 31, Page 1604-, Year 2023
Publish dateMar 5, 2023 (structure data deposition date)
AuthorsDong, J. / Xiao, H. / Chen, J.N. / Zheng, B.F. / Xu, Y.L. / Chen, M.X. / Yang, W.C. / Lin, H.Y. / Yang, G.F.
External linksStructure / PubMed:37794595
MethodsX-ray diffraction
Resolution2.78 - 2.81 Å
Structure data

PDB-8im2:
Crystal structure of human HPPD complexed with NTBC
Method: X-RAY DIFFRACTION / Resolution: 2.81 Å

PDB-8im3:
Crystal structure of human HPPD complexed with compound a10
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

Chemicals

ChemComp-CO:
Unknown entry

ChemComp-NTD:
2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-92U:
[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Enzyme / Inhibitor / Complex

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