7xrr

Crystal structure of the human OX2R bound to the insomnia drug lemborexant.

spinqualitylabelsall models 7xrr, resolution 2.89Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7xrr is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.89Å Ligands: NRK Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function OX2R_HUMAN Nonselective, high-affinity receptor for both orexin-A and orexin-B neuropeptides. Publication Abstract from PubMed Orexin receptors are a family of G protein-coupled receptors that consist of two subtypes: orexin-1 receptors (OX1Rs) and OX2Rs. They are expressed throughout the central nervous system and are involved in regulating the sleep-wake cycle. The development of antagonists to orexin receptors has become important in drug discovery because modulation of these receptors can lead to novel treatments for diseases related to the regulation of sleep and wakefulness, such as insomnia. In this study, we determined that the structure of OX2R bound to lemborexant, a dual orexin receptor antagonist (DORA), at 2.89 A resolution. Comparisons of kinetic and dynamic properties of DORAs based on structures and simulations suggest that the enthalpy of molecular binding to receptors and the entropy derived from intramolecular structure can be separately controlled. These results complement existing structural information and allow us to discuss the usefulness of pharmacophore models and target selectivity to OXRs. Molecular basis for anti-insomnia drug design from structure of lemborexant-bound orexin 2 receptor.,Asada H, Im D, Hotta Y, Yasuda S, Murata T, Suno R, Iwata S Structure. 2022 Dec 1;30(12):1582-1589.e4. doi: 10.1016/j.str.2022.11.001. Epub , 2022 Nov 22. PMID:36417909 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Orexin and Orexin receptor

Proteopedia Page Contributors and Editors (what is this?)

OCA