タイトル | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. |
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ジャーナル・号・ページ | Cell Chem Biol, Vol. 27, Page 1285-1295.e4, Year 2020 |
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掲載日 | 2020年3月27日 (構造データの登録日) |
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著者 | Schroder, M. / Tan, L. / Wang, J. / Liang, Y. / Gray, N.S. / Knapp, S. / Chaikuad, A. |
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リンク | Cell Chem Biol / PubMed:32783966 |
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手法 | X線回折 |
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解像度 | 1.7 - 2.4 Å |
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構造データ | PDB-6yfz: Crystal structure of MKK7 (MAP2K7), apo form 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6yg0: Crystal structure of S287D,T291D MKK7 (MAP2K7), apo form 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6yg1: Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix 手法: X-RAY DIFFRACTION / 解像度: 2.22 Å PDB-6yg2: Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6yg3: Crystal structure of MKK7 (MAP2K7) covalently bound with CPT1-70-1 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-6yg4: Crystal structure of MKK7 (MAP2K7) in complex with K00007 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6yg5: Crystal structure of MKK7 (MAP2K7) in complex with ASC69 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6yg6: Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor TL10-105 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-6yg7: Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor SB1-G-23 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-6yz4: Crystal structure of MKK7 (MAP2K7) with ibrutinib bound at allosteric site 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å |
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化合物 | ChemComp-1E8: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one / イブルチニブ
ChemComp-8E8: 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
ChemComp-6HF: N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
ChemComp-IHH: [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
ChemComp-OQ8: ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
ChemComp-OQ2: ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / kinase / kinase inhibitor / MKK7 / MEK7 / MAP2K7 / MAP2K / MEK / JNK signaling / Structural Genomics / Structural Genomics Consortium / SGC / Scottish Structural Proteomics Facility / SSPF / allosteric |
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