タイトル | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization. |
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ジャーナル・号・ページ | Cell Chem Biol, Vol. 30, Page 753-765.e8, Year 2023 |
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掲載日 | 2021年10月25日 (構造データの登録日) |
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著者 | Schwalm, M.P. / Kramer, A. / Dolle, A. / Weckesser, J. / Yu, X. / Jin, J. / Saxena, K. / Knapp, S. |
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リンク | Cell Chem Biol / PubMed:37354907 |
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手法 | X線回折 |
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解像度 | 2.2 - 2.8 Å |
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構造データ | PDB-7q2j: Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-8bb4: Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-8bb5: Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-8c13: Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å |
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化合物 | ChemComp-8KH: N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
ChemComp-Q3R: ~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
ChemComp-Q43: ~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
ChemComp-SYF: (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
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由来 | homo sapiens (ヒト)
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キーワード | STRUCTURAL PROTEIN / PROTAC / WDR5 / VHL / Quaternary Complex / Structural Genomics / Structural Genomics Consortium / SGC / LIGASE / E3-Ligase / Elongin / E3 Ligase |
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