Antagonist binding and induced conformational dynamics of GPCR A2A adenosine receptor

Proteins: Structure, Function and Bioinformatics

Volumn 81, Issue 8, 2013, Pages 1399-1410

  Pang, Xueqin ^a   Yang, Mingjun ^a   Han, Keli ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

A2AAR; Ionic lock; KW6002; Ligand specific binding; Molecular dynamics; Rotamer toggle switch; Secondary structure; ZM241385

Indexed keywords

4 [2 [7 AMINO 2 (2 FURYL) 1,2,4 TRIAZOLO[2,3 A][1,3,5]TRIAZIN 5 YLAMINO]ETHYL]PHENOL; ADENOSINE A2 RECEPTOR; ADENOSINE RECEPTOR A2A; G PROTEIN COUPLED RECEPTOR; ISTRADEFYLLINE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CELLULAR PARAMETERS; CRYSTAL STRUCTURE; INTRACELLULAR LOOP; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE;

A2AAR; IONIC LOCK; KW6002; LIGAND SPECIFIC BINDING; MOLECULAR DYNAMICS; ROTAMER TOGGLE SWITCH; SECONDARY STRUCTURE; ZM241385;

ADENOSINE A2 RECEPTOR ANTAGONISTS; ANIMALS; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PURINES; RATS; RECEPTOR, ADENOSINE A2A; THERMODYNAMICS; TRIAZINES; TRIAZOLES;

EID: 84880700555     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24283     Document Type: Article

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