タイトル | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. |
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ジャーナル・号・ページ | Acs Omega, Vol. 4, Page 8892-8906, Year 2019 |
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掲載日 | 2019年1月10日 (構造データの登録日) |
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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. |
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リンク | Acs Omega / PubMed:31459977 |
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手法 | X線回折 |
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解像度 | 1.5 - 2.4 Å |
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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 |
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化合物 | 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-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
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由来 | homo sapiens (ヒト)![](img/tx_bacteria.gif) escherichia coli o157:h7 (大腸菌)
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キーワード | APOPTOSIS / MCL1 / BCL2 / BIM / PUMA / small molecule inhibitor / MBP / ABT-737 / ABT-263 / drug design / ABT-763 |
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