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Structure paper

TitleX-ray structures of endothelin ETB receptor bound to clinical antagonist bosentan and its analog
Journal, issue, pagesNat. Struct. Mol. Biol., Vol. 24, Page 758-764, Year 2017
Publish dateMar 5, 2017 (structure data deposition date)
AuthorsShihoya, W. / Nishizawa, T. / Yamashita, K. / Inoue, A. / Hirata, K. / Kadji, F.M.N. / Okuta, A. / Tani, K. / Aoki, J. / Fujiyoshi, Y. ...Shihoya, W. / Nishizawa, T. / Yamashita, K. / Inoue, A. / Hirata, K. / Kadji, F.M.N. / Okuta, A. / Tani, K. / Aoki, J. / Fujiyoshi, Y. / Doi, T. / Nureki, O.
External linksNat. Struct. Mol. Biol. / PubMed:28805809
MethodsX-ray diffraction
Resolution2.2 - 3.6 Å
Structure data

PDB-5x93:
Human endothelin receptor type-B in complex with antagonist K-8794
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-5xpr:
Human endothelin receptor type-B in complex with antagonist bosentan
Method: X-RAY DIFFRACTION / Resolution: 3.6 Å

Chemicals

ChemComp-K87:
3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide

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

ChemComp-CLR:
CHOLESTEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-K86:
4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide / medication, antagonist*YM

Source
  • homo sapiens (human)
  • enterobacteria phage t4 (virus)
KeywordsSIGNALING PROTEIN / alpha helical

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