EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
ジャーナル・号・ページ	J. Med. Chem., Vol. 63, Page 1528-1543, Year 2020
掲載日	2019年12月11日 (構造データの登録日)
著者	Rappas, M. / Ali, A.A.E. / Bennett, K.A. / Brown, J.D. / Bucknell, S.J. / Congreve, M. / Cooke, R.M. / Cseke, G. / de Graaf, C. / Dore, A.S. ...Rappas, M. / Ali, A.A.E. / Bennett, K.A. / Brown, J.D. / Bucknell, S.J. / Congreve, M. / Cooke, R.M. / Cseke, G. / de Graaf, C. / Dore, A.S. / Errey, J.C. / Jazayeri, A. / Marshall, F.H. / Mason, J.S. / Mould, R. / Patel, J.C. / Tehan, B.G. / Weir, M. / Christopher, J.A.
リンク	J. Med. Chem. / PubMed:31860301
手法	X線回折
解像度	2.11 - 3.04 Å
構造データ	PDB-6to7: Crystal structure of the Orexin-1 receptor in complex with suvorexant at 2.29 A resolution 手法: X-RAY DIFFRACTION / 解像度: 2.26 Å PDB-6tod: Crystal structure of the Orexin-1 receptor in complex with EMPA 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å PDB-6tos: Crystal structure of the Orexin-1 receptor in complex with GSK1059865 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-6tot: Crystal structure of the Orexin-1 receptor in complex with lemborexant 手法: X-RAY DIFFRACTION / 解像度: 2.22 Å PDB-6tp3: Crystal structure of the Orexin-1 receptor in complex with daridorexant 手法: X-RAY DIFFRACTION / 解像度: 3.04 Å PDB-6tp4: Crystal structure of the Orexin-1 receptor in complex with ACT-462206 手法: X-RAY DIFFRACTION / 解像度: 3.011 Å PDB-6tp6: Crystal structure of the Orexin-1 receptor in complex with filorexant 手法: X-RAY DIFFRACTION / 解像度: 2.338 Å PDB-6tpg: Crystal structure of the Orexin-2 receptor in complex with EMPA at 2.74 A resolution 手法: X-RAY DIFFRACTION / 解像度: 2.741 Å PDB-6tpj: Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution 手法: X-RAY DIFFRACTION / 解像度: 2.74 Å PDB-6tpn: Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution 手法: X-RAY DIFFRACTION / 解像度: 2.608 Å PDB-6tq4: Crystal structure of the Orexin-1 receptor in complex with Compound 16 手法: X-RAY DIFFRACTION / 解像度: 2.299 Å PDB-6tq6: Crystal structure of the Orexin-1 receptor in complex with Compound 14 手法: X-RAY DIFFRACTION / 解像度: 2.546 Å PDB-6tq7: Crystal structure of the Orexin-1 receptor in complex with SB-334867 手法: X-RAY DIFFRACTION / 解像度: 2.6636 Å PDB-6tq9: Crystal structure of the Orexin-1 receptor in complex with SB-408124 手法: X-RAY DIFFRACTION / 解像度: 2.655 Å
化合物	ChemComp-SUV: [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone / スボレキサント / 薬剤, アンタゴニストYM ChemComp-PG4: TETRAETHYLENE GLYCOL / テトラエチレングリコ-ル / 沈殿剤YM ChemComp-CIT: CITRIC ACID / クエン酸 ChemComp-SOG: octyl 1-thio-beta-D-glucopyranoside / オクチル1-チオ-β-D-グルコピラノシド / 可溶化剤YM ChemComp-PGW: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl / POPG / リン脂質YM ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-HOH: WATER ChemComp-7MA: N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide / アンタゴニストYM ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-NRE: [(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone ChemComp-NRK: (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide / E-2006 / 薬剤, アンタゴニストYM ChemComp-NS2: [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone / 薬剤, アンタゴニストYM ChemComp-NRZ: (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide / ACT-462206 ChemComp-NT5: [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone / MK-6096 / アンタゴニストYM ChemComp-CL: Unknown entry / クロリド ChemComp-OLA: OLEIC ACID / オレイン酸 ChemComp-NH4: AMMONIUM ION / アンモニウム ChemComp-NU8: 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one / HTL-6641 / HTL-6641YM ChemComp-NO3: NITRATE ION ChemComp-NV8: 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole ChemComp-NVH: 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one ChemComp-NVK: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea / SB-334867 / アンタゴニスト, 薬剤YM ChemComp-NVN: 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea / SB-408124 / アンタゴニスト, 薬剤*YM
由来	homo sapiens (ヒト) pyrococcus abyssi ge5 (古細菌) pyrococcus abyssi (strain ge5 / orsay) (古細菌)
キーワード	MEMBRANE PROTEIN / 7TM / GPCR