Structures of human β2AR bound to various ligands

PDB IDaLigandEfficacyFusion PartnerbBinding PartnerResolution (Å)References
2RH1CarazololInverse agonistT4 lysozyme (T4L) in ICL3None2.40Cherezov et al., 2007; Rosenbaum et al., 2007
2R4RCarazololInverse agonistNoneFab53.40Rasmussen et al., 2007
2R4SCarazololInverse agonistNoneFab53.40Rasmussen et al., 2007
3D4STimololInverse agonistT4L in ICL3None2.80Hanson et al., 2008
3KJ6CarazololInverse agonistNoneFab53.40Bokoch et al., 2010
3NY8ICI 118551Inverse agonistT4L in ICL3None2.84Wacker et al., 2010
3NY9Compound 2acInverse agonistT4L in ICL3None2.84Wacker et al., 2010
3NYAAlprenololAntagonistT4L in ICL3None3.16Wacker et al., 2010
4GBRCarazololInverse agonistN-terminal T4LNone3.99Zou et al., 2012
5D5ACarazololInverse agonistT4L in ICL3None2.48Huang et al., 2016a
5D5BCarazololInverse agonistT4L in ICL3None3.80Huang et al., 2016a
5JQHCarazololInverse agonistN-terminal T4LNanobody Nb603.20Staus et al., 2016
5D5BCarazololInverse agonistT4L in ICL3None3.20Ma et al., 2017
5X7DCarazolol and intracellular antagonist Cmpd-15PAInverse agonist and allosteric antagonistT4L in ICL3None2.70Liu et al., 2017
3PDSFAUC50Covalent agonistT4L in ICL3None3.50Rosenbaum et al., 2011
3P0GBI-167107Full agonistNoneNanobody Nb803.50Rasmussen et al., 2011a
3SN6BI-167107Full agonistN-terminal T4LGs heterotrimer3.20Rasmussen et al., 2011b
4LDEBI-167107Full agonistN-terminal T4LNanobody Nb6B92.79Ring et al., 2013
4LDLHydroxybenzyl isoproterenolFull agonistN-terminal T4LNanobody Nb6B93.10Ring et al., 2013
4LDOAdrenaline (epinephrine)Full agonistN-terminal T4LNanobody Nb6B93.20Ring et al., 2013
4QKXCompound 2bcCovalent agonistN-terminal T4LNanobody Nb6B93.30Weichert et al., 2014
6MXTSalmeterolPartial agonistN-terminal T4LNanobody Nb712.96Masureel et al., 2018
  • a PDB,

  • b Inserting a small protein into GPCRs either at the ICL3 or at the N-terminal ends has been widely used to facilitate crystallization.

  • c Compound 2a and compound 2b are unrelated. They were both named “compound 2” in the literature. Here we use 2a and 2b to avoid confusion.

  • ICL3, intracellular loop 3.