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Structure paper

TitleCrystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 4727-4737, Year 2015
Publish dateMar 4, 2015 (structure data deposition date)
AuthorsLuz, J.G. / Antonysamy, S. / Kuklish, S.L. / Condon, B. / Lee, M.R. / Allison, D. / Yu, X.P. / Chandrasekhar, S. / Backer, R. / Zhang, A. ...Luz, J.G. / Antonysamy, S. / Kuklish, S.L. / Condon, B. / Lee, M.R. / Allison, D. / Yu, X.P. / Chandrasekhar, S. / Backer, R. / Zhang, A. / Russell, M. / Chang, S.S. / Harvey, A. / Sloan, A.V. / Fisher, M.J.
External linksJ. Med. Chem. / PubMed:25961169
MethodsX-ray diffraction
Resolution1.41 - 1.52 Å
Structure data

PDB-4yk5:
Crystal Structures of mPGES-1 Inhibitor Complexes
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-4yl0:
Crystal Structures of mPGES-1 Inhibitor Complexes
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-4yl1:
Crystal Structures of mPGES-1 Inhibitor Complexes
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

PDB-4yl3:
Crystal Structures of mPGES-1 Inhibitor Complexes
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

Chemicals

ChemComp-4DV:
3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / inhibitor, precipitant*YM

ChemComp-GSH:
GLUTATHIONE

ChemComp-JZR:
hexyl beta-D-glucopyranoside

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

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-4DZ:
2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-4U8:
5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid

ChemComp-4U9:
5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine

Source
  • homo sapiens (human)
KeywordsISOMERASE/ISOMERASE INHIBITOR / Inflammation / ISOMERASE-ISOMERASE INHIBITOR complex / Prostaglandin / Inhibitor

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