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Structure paper

TitleCharacterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.
Journal, issue, pagesBioorg. Med. Chem., Vol. 26, Page 4726-4734, Year 2018
Publish dateNov 30, 2017 (structure data deposition date)
AuthorsTakaya, D. / Inaka, K. / Omura, A. / Takenuki, K. / Kawanishi, M. / Yabuki, Y. / Nakagawa, Y. / Tsuganezawa, K. / Ogawa, N. / Watanabe, C. ...Takaya, D. / Inaka, K. / Omura, A. / Takenuki, K. / Kawanishi, M. / Yabuki, Y. / Nakagawa, Y. / Tsuganezawa, K. / Ogawa, N. / Watanabe, C. / Honma, T. / Aritake, K. / Urade, Y. / Shirouzu, M. / Tanaka, A.
External linksBioorg. Med. Chem. / PubMed:30121213
MethodsX-ray diffraction
Resolution1.74 Å
Structure data

PDB-5ywx:
Crystal structure of hematopoietic prostaglandin D synthase in complex with F092
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-GSH:
GLUTATHIONE

ChemComp-93C:
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / PROSTAGLANDIN / SYNTHASE / Inhibitor / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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