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	Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
ジャーナル・号・ページ	J. Med. Chem., Vol. 55, Page 2803-2810, Year 2012
掲載日	2011年7月14日 (構造データの登録日)
著者	Larson, E.T. / Ojo, K.K. / Murphy, R.C. / Johnson, S.M. / Zhang, Z. / Kim, J.E. / Leibly, D.J. / Fox, A.M. / Reid, M.C. / Dale, E.J. ...Larson, E.T. / Ojo, K.K. / Murphy, R.C. / Johnson, S.M. / Zhang, Z. / Kim, J.E. / Leibly, D.J. / Fox, A.M. / Reid, M.C. / Dale, E.J. / Perera, B.G. / Kim, J. / Hewitt, S.N. / Hol, W.G. / Verlinde, C.L. / Fan, E. / Van Voorhis, W.C. / Maly, D.J. / Merritt, E.A.
リンク	J. Med. Chem. / PubMed:22369268
手法	X線回折
解像度	1.95 - 2.65 Å
構造データ	PDB-3sx9: Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-132 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-3sxf: Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-3t3u: Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-3t3v: Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-3upx: Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300 手法: X-RAY DIFFRACTION / 解像度: 2.27 Å PDB-3upz: Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3uqf: c-SRC kinase domain in complex with BKI RM-1-89 手法: X-RAY DIFFRACTION / 解像度: 2.27 Å PDB-3uqg: c-SRC kinase domain in complex with bumpless BKI analog UW1243 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3v51: Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-3v5p: Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-3v5t: Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å
化合物	ChemComp-BK7: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemComp-HOH: WATER ChemComp-BK5: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-BK6: 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemComp-BK4: 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemComp-B6A: [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone ChemComp-B5A: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemComp-I76: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemComp-C88: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemComp-UW9*: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
由来	toxoplasma gondii (トキソプラズマ) gallus gallus (ニワトリ)
キーワード	transferase/transferase inhibitor / serine/threonine protein kinase / transferase / calcium-binding / ATP-binding / calmodulin / EF hand / bumped kinase inhibitor / transferase-transferase inhibitor complex / tyrosine protein kinase / kinase domain / inhibitor