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TitleA covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1).
Journal, issue, pagesChem. Commun. (Camb. ), Vol. 53, Page 11138-11141, Year 2017
Publish dateFeb 24, 2017 (structure data deposition date)
AuthorsShishido, Y. / Tomoike, F. / Kimura, Y. / Kuwata, K. / Yano, T. / Fukui, K. / Fujikawa, H. / Sekido, Y. / Murakami-Tonami, Y. / Kameda, T. ...Shishido, Y. / Tomoike, F. / Kimura, Y. / Kuwata, K. / Yano, T. / Fukui, K. / Fujikawa, H. / Sekido, Y. / Murakami-Tonami, Y. / Kameda, T. / Shuto, S. / Abe, H.
External linksChem. Commun. (Camb. ) / PubMed:28848941
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-5x79:
Human GST Pi conjugated with novel inhibitor, GS-ESF
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-GF5:
(2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / GSTP / covalent inhibitor / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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