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TitleHarmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 1881-1885, Year 2020
Publish dateNov 26, 2019 (structure data deposition date)
AuthorsUddin, M.J. / Xu, S. / Crews, B.C. / Aleem, A.M. / Ghebreselasie, K. / Banerjee, S. / Marnett, L.J.
External linksAcs Med. Chem. Lett. / PubMed:33062168
MethodsX-ray diffraction
Resolution2.66 Å
Structure data

PDB-6v3r:
Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole
Method: X-RAY DIFFRACTION / Resolution: 2.66 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

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

ChemComp-Y8A:
9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsOXIDOREDUCTASE/INHIBITOR / Prostaglandin G/H synthase 2 / CYCLOOXYGENASE-2 / OXIDOREDUCTASE / INHIBITOR COMPLEX / MEMBRANE PROTEIN / OXIDOREDUCTASE-INHIBITOR complex

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