タイトル | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. |
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ジャーナル・号・ページ | Nat Commun, Vol. 14, Page 6345-6345, Year 2023 |
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掲載日 | 2022年4月15日 (構造データの登録日) |
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著者 | Ramachandran, S. / Makukhin, N. / Haubrich, K. / Nagala, M. / Forrester, B. / Lynch, D.M. / Casement, R. / Testa, A. / Bruno, E. / Gitto, R. / Ciulli, A. |
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リンク | Nat Commun / PubMed:37816714 |
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手法 | X線回折 |
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解像度 | 1.79 - 2.6 Å |
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構造データ | PDB-7zlm: Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-7zln: Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-7zlo: Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12 手法: X-RAY DIFFRACTION / 解像度: 2.22 Å PDB-7zlp: Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 9 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-7zlr: Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-7zls: co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å |
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化合物 | ChemComp-JIH: [4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
ChemComp-JI9: [4-[(2~{S})-3-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
ChemComp-JI0: [4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
ChemComp-JHR: [4-[(2~{S})-2-[2-(4-fluorophenyl)ethanoylamino]-3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
ChemComp-JH9: [4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
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由来 | - homo sapiens (ヒト)
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キーワード | LIGASE / E3 ligase / suppressor of cytokine signaling |
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