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TitlePotent Antimalarial 2-Pyrazolyl Quinolonebc1(Qi) Inhibitors with Improved Drug-like Properties.
Journal, issue, pagesACS Med Chem Lett, Vol. 9, Page 1205-1210, Year 2018
Publish dateAug 8, 2018 (structure data deposition date)
AuthorsDavid Hong, W. / Leung, S.C. / Amporndanai, K. / Davies, J. / Priestley, R.S. / Nixon, G.L. / Berry, N.G. / Samar Hasnain, S. / Antonyuk, S. / Ward, S.A. ...David Hong, W. / Leung, S.C. / Amporndanai, K. / Davies, J. / Priestley, R.S. / Nixon, G.L. / Berry, N.G. / Samar Hasnain, S. / Antonyuk, S. / Ward, S.A. / Biagini, G.A. / O'Neill, P.M.
External linksACS Med Chem Lett / PubMed:30613327
MethodsX-ray diffraction
Resolution3.45 Å
Structure data

PDB-6haw:
Crystal structure of bovine cytochrome bc1 in complex with 2-pyrazolyl quinolone inhibitor WDH2G7
Method: X-RAY DIFFRACTION / Resolution: 3.45 Å

Chemicals

ChemComp-6PE:
1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PO4:
PHOSPHATE ION

ChemComp-CDL:
CARDIOLIPIN / phospholipid*YM

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PX6:
1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-LMT:
DODECYL-BETA-D-MALTOSIDE / detergent*YM

ChemComp-PEE:
1,2-dioleoyl-sn-glycero-3-phosphoethanolamine / DOPE, phospholipid*YM

ChemComp-FX2:
7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one

ChemComp-HEC:
HEME C

ChemComp-FES:
FE2/S2 (INORGANIC) CLUSTER

ChemComp-PX4:
1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE / DMPC, phospholipid*YM

ChemComp-HOH:
WATER

Source
  • bos taurus (domestic cattle)
KeywordsELECTRON TRANSPORT / cytochrome bc1 / malaria

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