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	Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
ジャーナル・号・ページ	J. Med. Chem., Vol. 64, Page 2228-2241, Year 2021
掲載日	2020年1月8日 (構造データの登録日)
著者	Davis, R.R. / Li, B. / Yun, S.Y. / Chan, A. / Nareddy, P. / Gunawan, S. / Ayaz, M. / Lawrence, H.R. / Reuther, G.W. / Lawrence, N.J. / Schonbrunn, E.
リンク	J. Med. Chem. / PubMed:33570945
手法	X線回折
解像度	1.9 - 2.5 Å
構造データ	PDB-6vgl: JAK2 JH1 in complex with ruxolitinib 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6vn8: JAK2 JH1 in complex with baricitinib 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6vnb: JAK2 JH1 in complex with BL2-084 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-6vnc: JAK2 JH1 in complex with BL2-096 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6vne: JAK2 JH1 in complex with Fedratinib 手法: X-RAY DIFFRACTION / 解像度: 2.32 Å PDB-6vnf: JAK2 JH1 in complex with MA9-086 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å PDB-6vng: JAK2 JH1 in complex with PN2-118 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-6vnh: JAK2 JH1 in complex with PN2-123 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6vni: JAK2 JH1 in complex with PN3-115 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6vnj: JAK2 JH1 in complex with PN4-014 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6vnk: JAK2 JH1 in complex with PN4-073 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6vnl: JAK2 JH1 in complex with SG3-179 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6vnm: JAK2 JH1 in complex with SY5-103 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-6vs3: JAK2 JH1 in complex with BL2-057 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6vsn: JAK2 JH1 in complex with BL2-110 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å
化合物	ChemComp-RXT: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile / ルキソリチニブ / 薬剤, 阻害剤YM ChemComp-HOH: WATER ChemComp-3JW: Baricitinib / バリシチニブ / 薬剤, 阻害剤YM ChemComp-R6P: (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile ChemComp-R6V: (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile ChemComp-2TA: N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide / TG-101348 / 薬剤, 抗がん剤YM ChemComp-R6S: N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine ChemComp-R6M: N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide ChemComp-XZS: N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide ChemComp-R61: 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione ChemComp-R5S: 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile ChemComp-5W2: 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide ChemComp-R5Y: 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine ChemComp-RG4*: (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE/TRANSFERASE INHIBITOR / Janus associated kinase / JAK2 / kinase domain / JH1 / kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE