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TitleCrystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 77, Page 237-248, Year 2021
Publish dateSep 7, 2018 (structure data deposition date)
AuthorsMoosmayer, D. / Hilpmann, A. / Hoffmann, J. / Schnirch, L. / Zimmermann, K. / Badock, V. / Furst, L. / Eaton, J.K. / Viswanathan, V.S. / Schreiber, S.L. ...Moosmayer, D. / Hilpmann, A. / Hoffmann, J. / Schnirch, L. / Zimmermann, K. / Badock, V. / Furst, L. / Eaton, J.K. / Viswanathan, V.S. / Schreiber, S.L. / Gradl, S. / Hillig, R.C.
External linksActa Crystallogr D Struct Biol / PubMed:33559612
MethodsX-ray diffraction
Resolution1.01 - 1.54 Å
Structure data

PDB-6hkq:
Human GPX4 in complex with covalent Inhibitor ML162 (S enantiomer)
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-6hn3:
wildtype form (apo) of human GPX4 with Se-Cys46
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

Chemicals

ChemComp-G9N:
(2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

ChemComp-EOH:
ETHANOL

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / ANTI-OXIDATVE DEFENSE SYSTEM / Covalent inhibitor

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