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	Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
ジャーナル・号・ページ	Acs Omega, Vol. 4, Page 8892-8906, Year 2019
掲載日	2019年1月10日 (構造データの登録日)
著者	Murray, J.B. / Davidson, J. / Chen, I. / Davis, B. / Dokurno, P. / Graham, C.J. / Harris, R. / Jordan, A. / Matassova, N. / Pedder, C. ...Murray, J.B. / Davidson, J. / Chen, I. / Davis, B. / Dokurno, P. / Graham, C.J. / Harris, R. / Jordan, A. / Matassova, N. / Pedder, C. / Ray, S. / Roughley, S.D. / Smith, J. / Walmsley, C. / Wang, Y. / Whitehead, N. / Williamson, D.S. / Casara, P. / Le Diguarher, T. / Hickman, J. / Stark, J. / Kotschy, A. / Geneste, O. / Hubbard, R.E.
リンク	Acs Omega / PubMed:31459977
手法	X線回折
解像度	1.5 - 2.4 Å
構造データ	PDB-6qfi: Structure of human Mcl-1 in complex with BIM BH3 peptide 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6qfm: Structure of human Mcl-1 in complex with PUMA BH3 peptide 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6qfq: Structure of human Mcl-1 in complex with indole acid inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-6qg8: Structure of human Bcl-2 in complex with PUMA BH3 peptide 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6qgd: Structure of human Mcl-1 in complex with thienopyrimidine inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6qgg: Structure of human Bcl-2 in complex with analogue of ABT-737 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6qgh: Structure of human Bcl-2 in complex with ABT-263 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6qgj: Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6qgk: Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-HOH: WATER ChemComp-CL: Unknown entry / クロリド ChemComp-J3E: 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid ChemComp-J1N: 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-J1H: [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium ChemComp-1XJ: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide / ABT-263 / 抗がん剤, 阻害剤YM ChemComp-J1T: 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide ChemComp-J1Q: 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide ChemComp-ACT*: ACETATE ION / 酢酸イオン
由来	homo sapiens (ヒト) escherichia coli o157:h7 (大腸菌)
キーワード	APOPTOSIS / MCL1 / BCL2 / BIM / PUMA / small molecule inhibitor / MBP / ABT-737 / ABT-263 / drug design / ABT-763