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Structure paper

TitleDiscovery of novel tricyclic compounds as squalene synthase inhibitors
Journal, issue, pagesBioorg. Med. Chem., Vol. 20, Page 3072-3093, Year 2012
Publish dateDec 18, 2011 (structure data deposition date)
AuthorsIchikawa, M. / Ohtsuka, M. / Ohki, H. / Haginoya, N. / Itoh, M. / Sugita, K. / Usui, H. / Suzuki, M. / Terayama, K. / Kanda, A.
External linksBioorg. Med. Chem. / PubMed:22464687
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-3v66:
HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-D3A:
(1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / terpenoid synthase fold / ISOPRENE BIOSYNTHESIS / LIPID SYNTHESIS / MULTIFUNCTIONAL ENZYME / OXIDOREDUCTASE / STEROID BIOSYNTHESIS / STEROL BIOSYNTHESIS / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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