タイトル | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 56, Page 9556-9568, Year 2013 |
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掲載日 | 2013年6月13日 (構造データの登録日) |
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著者 | Lindgren, A.E. / Karlberg, T. / Ekblad, T. / Spjut, S. / Thorsell, A.G. / Andersson, C.D. / Nhan, T.T. / Hellsten, V. / Weigelt, J. / Linusson, A. ...Lindgren, A.E. / Karlberg, T. / Ekblad, T. / Spjut, S. / Thorsell, A.G. / Andersson, C.D. / Nhan, T.T. / Hellsten, V. / Weigelt, J. / Linusson, A. / Schuler, H. / Elofsson, M. |
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リンク | J. Med. Chem. / PubMed:24188023 |
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手法 | X線回折 |
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解像度 | 1.8 - 2.8 Å |
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構造データ | PDB-4l6z: Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1168 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4l70: Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0352 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4l7l: Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0368 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-4l7n: Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-4l7o: Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4l7p: Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0395 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-4l7r: Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-4l7u: Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0398 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å |
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化合物 | ChemComp-1DC: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-4-yl)ethyl]propanamide
ChemComp-1V9: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
ChemComp-1VA: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
ChemComp-1VB: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
ChemComp-1VD: N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
ChemComp-M95: (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide
ChemComp-M00: N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
ChemComp-1VC: methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate
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由来 | - homo sapiens (ヒト)
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キーワード | transferase/transferase inhibitor / DIPHTHERIA TOXIN LIKE ADP-RIBOSE TRANSFERASE / TRANSFERASE / ADP-RIBOSYLATION / transferase-transferase inhibitor complex / DIPHTHERIA TOXIN LIKE ADP-RIBOSE TRASNFERASE |
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