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Structure paper

TitleNatural Products as Starting Materials for Development of Second-Generation Serca Inhibitors Targeted Towards Prostate Cancer Cells
Journal, issue, pagesBioorg. Med. Chem., Vol. 14, Page 2810-, Year 2006
Publish dateJul 28, 2005 (structure data deposition date)
AuthorsSoehoel, H. / Jensen, A.L. / Moller, J.V. / Nissen, P. / Denmeade, S.R. / Isaacs, J.T. / Olsen, C.E. / Christensen, S.B.
External linksBioorg. Med. Chem. / PubMed:16412648
MethodsX-ray diffraction
Resolution3.3 Å
Structure data

PDB-2by4:
SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT.
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

Chemicals

ChemComp-AD4:
(3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE

ChemComp-ACP:
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / AMP-PCP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

ChemComp-NA:
Unknown entry

Source
  • oryctolagus cuniculus (rabbit)
KeywordsHYDROLASE / SERCA / P-TYPE ATPASE / CA2+-ATPASE / THAPSIGARGIN / PROSTATE CANCER / ATP-BINDING / CALCIUM / CALCIUM TRANSPORT / ENDOPLASMIC RETICULUM / ION TRANSPORT / MAGNESIUM / METAL-BINDING / MULTIGENE FAMILY / NUCLEOTIDE-BINDING / PHOSPHORYLATION / SARCOPLASMIC RETICULUM / TRANSMEMBRANE / TRANSPORT

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