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Structure paper

TitleAnticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography
Journal, issue, pagesMol. Cancer Ther., Vol. 7, Page 2435-2444, Year 2008
Publish dateFeb 8, 2008 (structure data deposition date)
AuthorsWoo, L.W.L. / Fischer, D.S. / Sharland, C.M. / Trusselle, M. / Foster, P.A. / Chander, S.K. / Di Fiore, A. / Supuran, C.T. / De Simone, G. / Purohit, A. ...Woo, L.W.L. / Fischer, D.S. / Sharland, C.M. / Trusselle, M. / Foster, P.A. / Chander, S.K. / Di Fiore, A. / Supuran, C.T. / De Simone, G. / Purohit, A. / Reed, M.J. / Potter, B.V.L.
External linksMol. Cancer Ther. / PubMed:18723489
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-3c7p:
Crystal structure of human carbonic anhydrase II in complex with STX237
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-POF:
(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate

ChemComp-MBO:
MERCURIBENZOIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / Protein-inhibitor complex / Disease mutation / Metal-binding

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