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	Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
ジャーナル・号・ページ	Eur. J. Med. Chem., Vol. 243, Page 114712-114712, Year 2022
掲載日	2022年2月28日 (構造データの登録日)
著者	Gannam, Z.T.K. / Jamali, H. / Kweon, O.S. / Herrington, J. / Shillingford, S.R. / Papini, C. / Gentzel, E. / Lolis, E. / Bennett, A.M. / Ellman, J.A. / Anderson, K.S.
リンク	Eur. J. Med. Chem. / PubMed:36116232
手法	X線回折
解像度	1.8 - 3.14 Å
構造データ	PDB-7u4o: Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7u4r: Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 手法: X-RAY DIFFRACTION / 解像度: 3.14 Å PDB-7umu: Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.51 Å PDB-7umv: Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7un0: Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 手法: X-RAY DIFFRACTION / 解像度: 3.0 Å PDB-7un4: Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å
化合物	ChemComp-L8K: 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one ChemComp-L8R: 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one ChemComp-NUN: 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one ChemComp-DTT: 2,3-DIHYDROXY-1,4-DITHIOBUTANE / L-DTT ChemComp-NUU: 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-HOH: WATER ChemComp-NV3: 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one ChemComp-NVF: 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
由来	homo sapiens (ヒト)
キーワード	HYDROLASE/INHIBITOR / phosphatase / protein-tyrosine phosphatase / dual specificity phosphatase / phosphatase-inhibitor complex / HYDROLASE-INHIBITOR complex / ddual specificity phosphatase