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Structure paper

TitleStructural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Journal, issue, pagesNat Commun, Vol. 5, Page 4355-4355, Year 2014
Publish dateOct 8, 2013 (structure data deposition date)
AuthorsWang, C. / Wu, H. / Evron, T. / Vardy, E. / Han, G.W. / Huang, X.P. / Hufeisen, S.J. / Mangano, T.J. / Urban, D.J. / Katritch, V. ...Wang, C. / Wu, H. / Evron, T. / Vardy, E. / Han, G.W. / Huang, X.P. / Hufeisen, S.J. / Mangano, T.J. / Urban, D.J. / Katritch, V. / Cherezov, V. / Caron, M.G. / Roth, B.L. / Stevens, R.C.
External linksNat Commun / PubMed:25008467
MethodsX-ray diffraction
Resolution2.6 - 2.8 Å
Structure data

PDB-4n4w:
Structure of the human smoothened receptor in complex with SANT-1.
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4qim:
Structure of the human smoothened receptor in complex with ANTA XV
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

PDB-4qin:
Structure of the human smoothened receptor in complex with SAG1.5
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-SNT:
(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine

ChemComp-ZN:
Unknown entry

ChemComp-OLC:
(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-A8T:
2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol

ChemComp-SG8:
3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide

Source
  • shigella flexneri 5 str. 8401 (bacteria)
  • homo sapiens (human)
  • escherichia coli (E. coli)
KeywordsMembrane Protein / Transport Protein / Human smoothened receptor / antitumor agent / novel protein engineering / GPCR network / PSI-Biology / Structural Genomics / GPCR / membrane / SIGNALING PROTEIN / agonist

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