タイトル | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2). |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 64, Page 11288-11301, Year 2021 |
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掲載日 | 2021年3月29日 (構造データの登録日) |
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著者 | Lee, L.C. / Peng, Y.H. / Chang, H.H. / Hsu, T. / Lu, C.T. / Huang, C.H. / Hsueh, C.C. / Kung, F.C. / Kuo, C.C. / Jiaang, W.T. / Wu, S.Y. |
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リンク | J. Med. Chem. / PubMed:34337952 |
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手法 | X線回折 |
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解像度 | 2.13 - 2.61 Å |
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構造データ | PDB-7ehj: human MTHFD2 in complex with compound 21, cofactor and phosphate. 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-7ehm: Human MTHFD2 in complex with compound 21 and 15 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-7ehn: Human MTHFD2 in complex with compound 21 and 9 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-7ehv: Human MTHFD2 in complex with compound 21 and 3 手法: X-RAY DIFFRACTION / 解像度: 2.61 Å |
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化合物 | ChemComp-J49: (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid
ChemComp-NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM
ChemComp-J4C: (2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid
ChemComp-J4F: 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid
ChemComp-J4L: 1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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由来 | homo sapiens (ヒト)
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キーワード | OXIDOREDUCTASE / MTHFD2 / methylenetetrahydrofolate dehydrogenase 2 / 1C metabolism / mitocondria |
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