タイトル | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 10, Page 1661-1666, Year 2019 |
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掲載日 | 2019年10月4日 (構造データの登録日) |
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著者 | Ni, X. / Heidenreich, D. / Christott, T. / Bennett, J. / Moustakim, M. / Brennan, P.E. / Fedorov, O. / Knapp, S. / Chaikuad, A. |
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リンク | Acs Med. Chem. Lett. / PubMed:31857843 |
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手法 | X線回折 |
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解像度 | 1.8 - 2 Å |
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構造データ | PDB-6t1i: Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 1 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6t1j: Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 2 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-6t1l: Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 3 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6t1m: Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-6t1n: Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 5 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-6t1o: Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 6 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å |
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化合物 | ChemComp-M7W: 4-(4-ethanoylphenyl)-~{N}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide
ChemComp-M7T: ~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide
ChemComp-M7N: ~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
ChemComp-M8K: 4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide
ChemComp-M7Z: 4-chloranyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide
ChemComp-M82: 4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSCRIPTION (転写 (生物学)) / YEATS domain / ENL / MLLT1 / chemical probe / inhibitor (酵素阻害剤) / Structural Genomics (構造ゲノミクス) / Structural Genomics Consortium / SGC |
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