タイトル | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. |
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ジャーナル・号・ページ | Nat Commun, Vol. 3, Page 1288-1288, Year 2012 |
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掲載日 | 2011年12月2日 (構造データの登録日) |
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著者 | Yu, W. / Chory, E.J. / Wernimont, A.K. / Tempel, W. / Scopton, A. / Federation, A. / Marineau, J.J. / Qi, J. / Barsyte-Lovejoy, D. / Yi, J. ...Yu, W. / Chory, E.J. / Wernimont, A.K. / Tempel, W. / Scopton, A. / Federation, A. / Marineau, J.J. / Qi, J. / Barsyte-Lovejoy, D. / Yi, J. / Marcellus, R. / Iacob, R.E. / Engen, J.R. / Griffin, C. / Aman, A. / Wienholds, E. / Li, F. / Pineda, J. / Estiu, G. / Shatseva, T. / Hajian, T. / Al-Awar, R. / Dick, J.E. / Vedadi, M. / Brown, P.J. / Arrowsmith, C.H. / Bradner, J.E. / Schapira, M. |
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リンク | Nat Commun / PubMed:23250418 |
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手法 | X線回折 |
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解像度 | 2.05 - 2.57 Å |
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構造データ | PDB-3uwp: Crystal structure of Dot1l in complex with 5-iodotubercidin 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-4eqz: Crystal structure of human DOT1L in complex with inhibitor FED2 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-4er0: Crystal Structure of human DOT1L in complex with inhibitor FED1 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-4er3: Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-4er5: Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 手法: X-RAY DIFFRACTION / 解像度: 2.57 Å PDB-4er6: Crystal structure of human DOT1L in complex with inhibitor SGC0946 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-4er7: Crystal Structure of human DOT1L in complex with inhibitor SGC0947 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å |
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化合物 | ChemComp-5ID: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL / 5-ヨ-ドツベルシジン
ChemComp-AW0: 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine
ChemComp-AW1: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
ChemComp-0QK: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine / EPZ-004777
ChemComp-AW2: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
ChemComp-AW3: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / histone / methyltransferase / epigenetics / tubercidin / Structural Genomics / Structural Genomics Consortium / SGC / Transferase/Transferase Inhibitor / Transferase-Transferase Inhibitor complex |
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