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TitleStructure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Journal, issue, pagesBiochim Biophys Acta Gen Subj, Vol. 1865, Page 129800-129800, Year 2020
Publish dateJan 7, 2020 (structure data deposition date)
AuthorsHo, J.D. / Lee, M.R. / Rauch, C.T. / Aznavour, K. / Park, J.S. / Luz, J.G. / Antonysamy, S. / Condon, B. / Maletic, M. / Zhang, A. ...Ho, J.D. / Lee, M.R. / Rauch, C.T. / Aznavour, K. / Park, J.S. / Luz, J.G. / Antonysamy, S. / Condon, B. / Maletic, M. / Zhang, A. / Hickey, M.J. / Hughes, N.E. / Chandrasekhar, S. / Sloan, A.V. / Gooding, K. / Harvey, A. / Yu, X.P. / Kahl, S.D. / Norman, B.H.
External linksBiochim Biophys Acta Gen Subj / PubMed:33246032
MethodsX-ray diffraction
Resolution1.4 - 2.61 Å
Structure data

PDB-6vgc:
Crystal Structures of FLAP bound to DG-031
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-6vgi:
Crystal Structures of FLAP bound to MK-866
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

PDB-6vl4:
Crystal Structure of mPGES-1 bound to DG-031
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-QY1:
(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid

ChemComp-CA:
Unknown entry

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-HOH:
WATER

ChemComp-QY7:
3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

Source
  • homo sapiens (human)
KeywordsMEMBRANE PROTEIN / 5-Lipoxygenase Activating Protein / FLAP / DG-031 / MK-866 / ISOMERASE / mPGES-1

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