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	Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
ジャーナル・号・ページ	J. Med. Chem., Vol. 64, Page 8971-8991, Year 2021
掲載日	2020年8月20日 (構造データの登録日)
著者	Lee Walmsley, D. / Murray, J.B. / Dokurno, P. / Massey, A.J. / Benwell, K. / Fiumana, A. / Foloppe, N. / Ray, S. / Smith, J. / Surgenor, A.E. ...Lee Walmsley, D. / Murray, J.B. / Dokurno, P. / Massey, A.J. / Benwell, K. / Fiumana, A. / Foloppe, N. / Ray, S. / Smith, J. / Surgenor, A.E. / Edmonds, T. / Demarles, D. / Burbridge, M. / Cruzalegui, F. / Kotschy, A. / Hubbard, R.E.
リンク	J. Med. Chem. / PubMed:34143631
手法	X線回折
解像度	1.8 - 3.1 Å
構造データ	PDB-7a4o: Structure of DYRK1A in complex with AMPNP 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7a4r: Structure of DYRK1A in complex with compound 1 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7a4s: Structure of DYRK1A in complex with compound 2 手法: X-RAY DIFFRACTION / 解像度: 3.1 Å PDB-7a4w: Structure of DYRK1A in complex with compound 3 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-7a4z: Structure of DYRK1A in complex with compound 4 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7a51: Structure of DYRK1A in complex with compound 5 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7a52: Structure of DYRK1A in complex with compound 6 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7a53: Structure of DYRK1A in complex with compound 7 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7a55: Structure of DYRK1A in complex with compound 8 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7a5b: Structure of DYRK1A in complex with complex 10 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-7a5d: Structure of DYRK1A in complex with compound 16 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7a5l: tructure of DYRK1A in complex with compound 24 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7a5n: Structure of DYRK1A in complex with compound 34 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å
化合物	ChemComp-ANP: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP / AMP-PNP, エネルギー貯蔵分子類似体YM ChemComp-HOH: WATER ChemComp-QY8: 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one / 7-デアザグアニン ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-QYE: 7-chlorothieno[3,2-c]pyridin-4-amine ChemComp-QYH: 6-(4-methoxyphenyl)pyrimidine-2,4-diamine / 6-(4-メトキシフェニル)-2,4-ピリミジンジアミン ChemComp-6SD: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine / 3-(4-メトキシフェニル)-1H-ピラゾ-ル-5-アミン ChemComp-QYK: 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile / 4-アミノ-6-ブロモ-7-メチル-7H-ピロロ[2,3-d]ピリミジン-5-カルボニトリル ChemComp-QYB: 3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one ChemComp-PO4: PHOSPHATE ION / ホスファ-ト ChemComp-QYZ: (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one ChemComp-QZ2: 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid ChemComp-MFR: 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine ChemComp-CL: Unknown entry / クロリド ChemComp-QYW: 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile ChemComp-QZW: 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine ChemComp-R05: 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE / SERINE/THREONINE-PROTEIN KINASE / PHOSPHOPROTEIN / KINASE / SBDD / FBLD / SMALL MOLECULE INHIBITOR