PDB | 4j2t Inhibitor-bound Ca2+ ATPase
Inhibitor-bound Ca2+ ATPase
label Keywords
p-type atpase, calcium transport, thapsigargin analog, sarco(endo)plasmic reticulum, hydrolase-hydrolase inhibitor complex
event_note Published
10/16/2024
blur_on Resolution
3.2 Å
filter_center_focus Method
X-RAY DIFFRACTION
add_circle Ligands
(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate, PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION
Original publication
import_contacts Title
Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.
import_contacts Journal
J.Med.Chem. 2013
import_contacts DOI
10.1021/jm4001083
person Authors
Paulsen, E.S., Christensen, S.B., Lie, M.A., Schiott, B., Liu, H., Tenori, E., Sehgal, P., Bonde, D.F., Bublitz, M., Nissen, P., Moller, J.V., Villadsen, J., Dach, I., Autzen, H.E., Olesen, C.
copyrightData provided by Research Collaboration for Structural Biology, Paulsen, E.S., Christensen, S.B., Lie, M.A., Schiott, B., Liu, H., Tenori, E., Sehgal, P., Bonde, D.F., Bublitz, M., Nissen, P., Moller, J.V., Villadsen, J., Dach, I., Autzen, H.E., Olesen, C. , provided free of copyright via the Protein DataBank. View original data or read license terms.