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Structure paper

TitleCrystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Journal, issue, pagesNat Commun, Vol. 8, Page 15383-15383, Year 2017
Publish dateMar 13, 2017 (structure data deposition date)
AuthorsZhang, X. / Zhao, F. / Wu, Y. / Yang, J. / Han, G.W. / Zhao, S. / Ishchenko, A. / Ye, L. / Lin, X. / Ding, K. ...Zhang, X. / Zhao, F. / Wu, Y. / Yang, J. / Han, G.W. / Zhao, S. / Ishchenko, A. / Ye, L. / Lin, X. / Ding, K. / Dharmarajan, V. / Griffin, P.R. / Gati, C. / Nelson, G. / Hunter, M.S. / Hanson, M.A. / Cherezov, V. / Stevens, R.C. / Tan, W. / Tao, H. / Xu, F.
External linksNat Commun / PubMed:28513578
MethodsX-ray diffraction
Resolution2.9 - 3 Å
Structure data

PDB-5v56:
2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-5v57:
3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-836:
N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

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

Source
  • homo sapiens (human)
  • desulfovibrio vulgaris (bacteria)
KeywordsMEMBRANE PROTEIN / human smoothened receptor complex / GPCR Hedgehog signaling / GPCR / Class F / 7TM domain / hinge domain / extracellular cystein-rich domain / Flavodoxin / LCP / XFEL / TC114 / synchrotron radiation

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