タイトル | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. |
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ジャーナル・号・ページ | Pharmaceuticals, Vol. 16, Year 2023 |
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掲載日 | 2022年10月4日 (構造データの登録日) |
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著者 | Virtanen, A.T. / Haikarainen, T. / Sampathkumar, P. / Palmroth, M. / Liukkonen, S. / Liu, J. / Nekhotiaeva, N. / Hubbard, S.R. / Silvennoinen, O. |
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リンク | Pharmaceuticals / PubMed:36678572 |
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手法 | X線回折 |
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解像度 | 1.4 - 2.1 Å |
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構造データ | PDB-8b8n: Crystal structure of JAK2 JH2-V617F in complex with Cdk2 inhibitor IV 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-8b8u: Crystal structure of JAK2 JH2-V617F in complex with HTS-A3 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-8b99: Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8b9e: Crystal structure of JAK2 JH2-V617F in complex with Z902-A3 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-8b9h: Crystal structure of JAK2 JH2 in complex with Z902-A3 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-8ba2: Crystal structure of JAK2 JH2-V617F in complex with Z902-A1 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-8ba3: Crystal structure of JAK2 JH2 in complex with Bemcentinib 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-8ba4: Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-8bab: Crystal structure of JAK2 JH2-V617F in complex with CB76 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-8bak: Crystal structure of JAK2 JH2-V617F in complex with Reversine 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-8ex0: Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-8ex1: Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-8ex2: Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å |
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化合物 | ChemComp-AQG: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide
ChemComp-T7I: 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one
ChemComp-SKE: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide / JNJ-7706621
ChemComp-Q7F: 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine
ChemComp-Q9X: 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
ChemComp-Q8U: 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine
ChemComp-Q8N: 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
ChemComp-AD5: N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine / レベルシン / アンタゴニスト*YM
ChemComp-Q2Q: 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / Janus kinase / pseudokinase / inhibitor complex / JAK2 / JH2 / JANUS TYROSINE KINASE / PHOSPHORYLATION |
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