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Structure paper

TitleConstrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Journal, issue, pagesNat Commun, Vol. 14, Page 2138-2138, Year 2023
Publish dateApr 19, 2022 (structure data deposition date)
AuthorsXu, X. / Shonberg, J. / Kaindl, J. / Clark, M.J. / Stossel, A. / Maul, L. / Mayer, D. / Hubner, H. / Hirata, K. / Venkatakrishnan, A.J. ...Xu, X. / Shonberg, J. / Kaindl, J. / Clark, M.J. / Stossel, A. / Maul, L. / Mayer, D. / Hubner, H. / Hirata, K. / Venkatakrishnan, A.J. / Dror, R.O. / Kobilka, B.K. / Sunahara, R.K. / Liu, X. / Gmeiner, P.
External linksNat Commun / PubMed:37059717
MethodsX-ray diffraction
Resolution3.1 - 3.4 Å
Structure data

PDB-7xk9:
Structure of human beta2 adrenergic receptor bound to constrained isoproterenol
Method: X-RAY DIFFRACTION / Resolution: 3.4 Å

PDB-7xka:
Structure of human beta2 adrenergic receptor bound to constrained epinephrine
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

Chemicals

ChemComp-GJ6:
(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol

ChemComp-NA:
Unknown entry

ChemComp-G1I:
(5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol

ChemComp-HOH:
WATER

Source
  • enterobacteria phage t4 (virus)
  • homo sapiens (human)
KeywordsMEMBRANE PROTEIN / GPCR

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