EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents
ジャーナル・号・ページ	J. Med. Chem., Vol. 52, Page 4892-4902, Year 2009
掲載日	2009年3月3日 (構造データの登録日)
著者	Gangjee, A. / Li, W. / Kisliuk, R.L. / Cody, V. / Pace, J. / Piraino, J. / Makin, J.
リンク	J. Med. Chem. / PubMed:19719239
手法	X線回折
解像度	1.24 - 1.53 Å
構造データ	PDB-3ghc: Design, Synthesis, and X-ray Crystal Structure of Classical and Nonclassical 2-amino-4-oxo-5-substituted-6-thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agenst 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-3ghv: Human dihydrofolate reductase Q35K/N64F double mutant inhibitor complex 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-3ghw: Human dihydrofolate reductase inhibitor complex 手法: X-RAY DIFFRACTION / 解像度: 1.24 Å PDB-3gi2: Human dihydrofolate reductase Q35K mutant inhibitor complex 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å
化合物	ChemComp-GHC: N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid ChemComp-NDP: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / NADPH ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-HOH: WATER ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-GHW: N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid
由来	homo sapiens (ヒト)
キーワード	OXIDOREDUCTASE / protein inhibitor complex folate analogues / NADP / One-carbon metabolism / dihydrofolate reductase / folate enzyme / active site mutants / human dihydrofoalte reductase inhibitor complex