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Structure paper

TitleHuman substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Journal, issue, pagesNat Commun, Vol. 10, Page 638-638, Year 2019
Publish dateDec 30, 2018 (structure data deposition date)
AuthorsChen, S. / Lu, M. / Liu, D. / Yang, L. / Yi, C. / Ma, L. / Zhang, H. / Liu, Q. / Frimurer, T.M. / Wang, M.W. ...Chen, S. / Lu, M. / Liu, D. / Yang, L. / Yi, C. / Ma, L. / Zhang, H. / Liu, Q. / Frimurer, T.M. / Wang, M.W. / Schwartz, T.W. / Stevens, R.C. / Wu, B. / Wuthrich, K. / Zhao, Q.
External linksNat Commun / PubMed:30733446
MethodsX-ray diffraction
Resolution2.7 - 3.2 Å
Structure data

PDB-6j20:
Crystal structure of the human NK1 substance P receptor
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-6j21:
Crystal structure of the human NK1 substance P receptor
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-GBQ:
5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one / medication, chemotherapy*YM

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

Source
  • homo sapiens (human)
  • enterobacteria phage t4 (virus)
KeywordsMEMBRANE PROTEIN / GPCR / Complex / Antagonist / signalling protein

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