タイトル | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity |
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ジャーナル・号・ページ | To be Published |
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掲載日 | 2008年12月10日 (構造データの登録日) |
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著者 | Arora, N. / Williams, C. / Delano, W. / Will, D. / Kuglstatter, A. |
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リンク | PubMedで検索 |
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手法 | X線回折 |
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解像度 | 1.8 - 2.2 Å |
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構造データ | PDB-3fi4: P38 kinase crystal structure in complex with RO4499 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3fkl: P38 kinase crystal structure in complex with RO9552 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-3fkn: P38 kinase crystal structure in complex with RO7125 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-3fko: P38 kinase crystal structure in complex with RO3668 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-3fl4: P38 kinase crystal structure in complex with RO5634 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-3fsk: P38 kinase crystal structure in complex with RO6257 手法: X-RAY DIFFRACTION / 解像度: 2 Å |
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化合物 | ChemComp-FI4: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
ChemComp-FKL: N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
ChemComp-FKN: 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine
ChemComp-FL4: 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
ChemComp-RO6: 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
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由来 | homo sapiens (ヒト)
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キーワード | SIGNALING PROTEIN / TRANSFERASE / P38; MAP KINASE; SERINE/THREONINE KINASE / Alternative splicing / ATP-binding / Cytoplasm / Kinase / Nucleotide-binding / Nucleus / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase |
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