6V9S

Structure-based development of subtype-selective orexin 1 receptor antagonists

Summary for 6V9S

Entry DOI	10.2210/pdb6v9s/pdb
Descriptor	Orexin receptor type 1,GlgA glycogen synthase chimera, [(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, CHOLESTEROL, ... (4 entities in total)
Functional Keywords	gpcr, orexin receptor, selective ligand, signaling protein
Biological source	Homo sapiens (Human) More
Total number of polymer chains	1
Total formula weight	63905.25
Authors	Hellmann, J.,Drabek, M.,Yin, J.,Huebner, H.,Kraus, F.,Proell, T.,Weikert, D.,Kolb, P.,Rosenbaum, D.M.,Gmeiner, P. (deposition date: 2019-12-16, release date: 2020-07-15, Last modification date: 2023-10-11)
Primary citation	Hellmann, J.,Drabek, M.,Yin, J.,Gunera, J.,Proll, T.,Kraus, F.,Langmead, C.J.,Hubner, H.,Weikert, D.,Kolb, P.,Rosenbaum, D.M.,Gmeiner, P. Structure-based development of a subtype-selective orexin 1 receptor antagonist. Proc.Natl.Acad.Sci.USA, 117:18059-18067, 2020 Cited by PubMed: 32669442 DOI: 10.1073/pnas.2002704117 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.5 Å)

Structure validation