タイトル | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. |
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ジャーナル・号・ページ | ACS Chem. Biol., Vol. 14, Page 587-593, Year 2019 |
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掲載日 | 2017年7月19日 (構造データの登録日) |
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著者 | McNally, R. / Li, Q. / Li, K. / Dekker, C. / Vangrevelinghe, E. / Jones, M. / Chene, P. / Machauer, R. / Radimerski, T. / Eck, M.J. |
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リンク | ACS Chem. Biol. / PubMed:30763067 |
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手法 | X線回折 |
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解像度 | 1.6 - 3.192 Å |
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構造データ | PDB-5wij: JAK2 Pseudokinase in complex with NU6140 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-5wik: JAK2 Pseudokinase in complex with BI-D1870 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-5wil: JAK2 Pseudokinase in complex with AZD7762 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5wim: JAK2 Pseudokinase in complex with AT9283 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-5win: JAK2 Pseudokinase in complex with JNJ7706621 手法: X-RAY DIFFRACTION / 解像度: 2.38 Å PDB-6d2i: JAK2 Pseudokinase V617F in complex with AT9283 手法: X-RAY DIFFRACTION / 解像度: 3.192 Å PDB-6g3c: Crystal Structure of JAK2-V617F pseudokinase domain in complex with Compound 2 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å |
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化合物 | ChemComp-AQG: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide
ChemComp-584: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one
ChemComp-YDJ: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide / AZD-7762
ChemComp-35R: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea / AT-9283
ChemComp-SKE: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide / JNJ-7706621
ChemComp-EKT: 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / JAK2 / Pseudokinase / NU6140 / BI-D1870 / AZD7762 / AT9283 / JNJ7706621 / TRANSFERASE/TRANSFERASE INHIBITOR / KINASE / PSEUDOKINASE DOMAIN / TRANSFERASE-TRANSFERASE INHIBITOR complex / JANUS PROTEIN KINASE / PHOSPHOTRANSFERASE |
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