Table 1.
Reported X-ray crystal structures of purine receptors (all human) and methods used in the determination.
| Receptor, Ligand | Method,a Resolution (Å) | PBD ID: | Ref. |
|---|---|---|---|
| Adenosine A2AAR agonists | |||
| adenosine (1) | StaR (5), 3.0 | 2YDO | Lebon et al [18] |
| NECA (3) | StaR (5), 2.6 | 2YDV | Lebon et al [18] |
| UK432097 (4) | T4L(IL3)-ΔC, 2.71 | 3QAK | Xu et al [17] |
| CGS21680 (3) | StaR (5), 2.6 | 4UG2 | Lebon et al [46] |
| StaR (5), 2.6 | 4UHR | Lebon et al [46] | |
| Adenosine A1AR antagonist | |||
| DU172 (12b) | bRIL(IL3)-ΔC (9)b, 3.2 | 5UEN | Glukhova et al [24] |
| Adenosine A2AAR antagonists | |||
| ZM241385 (13) | T4L(IL3), 2.6 | 3EML | Jaakola et al [16] |
| StaR (8), 3.3 | 3PWH | Doré et al [30] | |
| Fab2838 (1), 2.7 | 3VG9 | Hino et al [100] | |
| Fab2838 (1), 3.1 | 3VGA | Hino et al [100] | |
| bRIL(IL3)-ΔC (3), 1.8 | 4EIY | Liu et al [19] | |
| StaR2-bRIL(IL3) (11), 1.72 | 5IU4 | Segala et al [70] | |
| caffeine (11) | StaR (8), 3.6 | 3RFM | Doré et al [30] |
| XAC (12a) | StaR (8), 3.31 | 3REY | Doré et al [30] |
| T4E (14) | StaR (8), 3.34 | 3UZC | Congreve et al [63] |
| T4G (15) | StaR (8), 3.27 | 3UZA | Congreve et al [63] |
| 12c (17) | StaR2-bRIL(IL3) (10), 1.9 | 5IU7 | Segala et al [70] |
| 12f (18) | StaR2-bRIL(IL3) (12), 2.0 | 5IU8 | Segala et al [70] |
| 12b (16) | StaR2-bRIL(IL3) (12), 2.2 | 5IUA | Segala et al [70] |
| 12x (19) | StaR2-bRIL(IL3) (10), 2.1 | 5IUB | Segala et al [70] |
| Cmpd-1 (26) | bRIL(IL3), 3.5 | 5UIG | Sun et al [53] |
| Adenosine A2AAR - other | |||
| engineered G protein | StaR (18), 3.4 | 5G53 | Carpenter et al [49] |
| na | SAD/XFEL (3), 2.5 | 5K2A | Batyuk et al [43] |
| na | MR/XFEL (3), 2.5 | 5K2B | Batyuk et al [43] |
| na | SAD/XFEL (3), 1.9 | 5K2C | Batyuk et al [43] |
| na | MR/XFEL (3), 1.9 | 5K2D | Batyuk et al [43] |
| P2Y1R antagonists | |||
| MRS2500 (31) | rub(IL3) (1), 2.7 | 4XNW | D. Zhang et al [22] |
| BPTU (34) | bRIL(N-term) (1), 2.2 | 4XNV | D. Zhang et al [22] |
| P2Y12R antagonist | |||
| AZD1283 (35) | bRIL(IL3) (4), 2.62 | 4NTJ | K. Zhang et al [20] |
| P2Y12R agonists | |||
| 2-MeSADP (28) | bRIL(IL3) (4), 2.5 | 4PXZ | K. Zhang et al [21] |
| 2-MeSATP (partial agonist, 29) | bRIL(IL3) (4), 3.1 | 4PY0 | K. Zhang et al [21] |
a
Construct or stabilization method. Number of mutations, if present, is given in parentheses, and if StaR or fusion construct (protein and location). T4L, cysteine-free phage T4 lysozyme; bRIL, thermostabilized apocytochrome b562RIL (e.g. A23-L128); ΔC, truncated C-terminus. Fab, antibody Fab fragment; N-term, N-terminus; rub, M1–E54 of rubredoxin; XFEL, X-ray free-electron laser; MR, molecular replacement method; sulfur phasing with SAD, single-wavelength anomalous dispersion; na, not applicable.
b
Construct is substituted with N159A (glycosylation site) and residues of the A2AAR at 220–228 (“to optimize bRIL insertion sites”) [24].