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Structure paper

TitleTowards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Journal, issue, pagesSci Rep, Vol. 8, Page 41-41, Year 2018
Publish dateJul 27, 2017 (structure data deposition date)
AuthorsRucktooa, P. / Cheng, R.K.Y. / Segala, E. / Geng, T. / Errey, J.C. / Brown, G.A. / Cooke, R.M. / Marshall, F.H. / Dore, A.S.
External linksSci Rep / PubMed:29311713
MethodsX-ray diffraction
Resolution1.87 - 3.1 Å
Structure data

PDB-5olg:
Structure of the A2A-StaR2-bRIL562-ZM241385 complex at 1.86A obtained from in meso soaking experiments.
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-5olh:
Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking experiments.
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-5olo:
Structure of the A2A-StaR2-bRIL562-Tozadenant complex at 3.1A obtained from in meso soaking experiments.
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-5olv:
Structure of the A2A-StaR2-bRIL562-LUAA47070 complex at 2.0A obtained from in meso soaking experiments.
Method: X-RAY DIFFRACTION / Resolution: 1.998 Å

PDB-5olz:
Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.9A obtained from bespoke co-crystallisation experiments.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5om1:
Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 2.1A obtained from in meso soaking experiments (1 hour soak).
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5om4:
Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.86A obtained from in meso soaking experiments (24 hour soak).
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZMA:
4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol / antagonist*YM

ChemComp-CLR:
CHOLESTEROL

ChemComp-OLA:
OLEIC ACID

ChemComp-SCN:
THIOCYANATE ION

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

ChemComp-CIT:
CITRIC ACID

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-9XT:
3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine

ChemComp-9XW:
~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide

ChemComp-9Y2:
4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide

ChemComp-T4E:
4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol

ChemComp-TAR:
D(-)-TARTARIC ACID

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-CL:
Unknown entry

Source
  • homo sapiens (human)
  • escherichia coli (E. coli)
KeywordsMEMBRANE PROTEIN / G-Protein Coupled Receptor / Adenosine 2a receptor / 7 TM integral membrane protein / thermostabilizing mutations / membrane proteins

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