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TitlePhotoswitchable inhibitors of the sarco(endo)plasmic calcium pump
Journal, issue, pagesTo Be Published
Publish dateApr 27, 2023 (structure data deposition date)
AuthorsHjorth-Jensen, S.J. / Konrad, D.B. / Quistgaard, E.M.H. / Hansen, L.C. / Novak, A. / Chu, H. / Jurasek, M. / Zimmermann, T. / Andersen, J.L. / Baran, P.S. ...Hjorth-Jensen, S.J. / Konrad, D.B. / Quistgaard, E.M.H. / Hansen, L.C. / Novak, A. / Chu, H. / Jurasek, M. / Zimmermann, T. / Andersen, J.L. / Baran, P.S. / Nissen, P. / Trauner, D.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.85 - 3.02 Å
Structure data

PDB-8owa:
SR Ca(2+)-ATPase in the E2 state complexed with the photoswitch-thapsigargin derivative AzTG-4
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-8owl:
SR Ca(2+)-ATPase in the E2 state complexed with the photoswitch-thapsigargin derivative AzTG-6
Method: X-RAY DIFFRACTION / Resolution: 3.02 Å

Chemicals

ChemComp-ACE:
ACETYL GROUP

ChemComp-VUK:
[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(E)-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

ChemComp-NA:
Unknown entry

ChemComp-VSR:
[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(E)-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

Source
  • oryctolagus cuniculus (rabbit)
KeywordsHYDROLASE / SERCA inhibitors / Photoswitch / Azobenzene / Thapsigargin

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