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	Virtual fragment screening for DNA repair inhibitors in vast chemical space.
ジャーナル・号・ページ	Nat Commun, Vol. 16, Page 1741-1741, Year 2025
掲載日	2021年12月3日 (構造データの登録日)
著者	Luttens, A. / Vo, D.D. / Scaletti, E.R. / Wiita, E. / Almlof, I. / Wallner, O. / Davies, J. / Kosenina, S. / Meng, L. / Long, M. ...Luttens, A. / Vo, D.D. / Scaletti, E.R. / Wiita, E. / Almlof, I. / Wallner, O. / Davies, J. / Kosenina, S. / Meng, L. / Long, M. / Mortusewicz, O. / Masuyer, G. / Ballante, F. / Michel, M. / Homan, E. / Scobie, M. / Kalderen, C. / Warpman Berglund, U. / Tarnovskiy, A.V. / Radchenko, D.S. / Moroz, Y.S. / Kihlberg, J. / Stenmark, P. / Helleday, T. / Carlsson, J.
リンク	Nat Commun / PubMed:39966348
手法	X線回折
解像度	1.95 - 2.6 Å
構造データ	PDB-7qel: Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7z3y: Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å PDB-7z5b: Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-7z5r: Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7zc7: Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7zg3: Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-8cex: Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227. 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-8cey: Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233. 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å
化合物	ChemComp-AUS: (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide ChemComp-NI: NICKEL (II) ION ChemComp-HOH: WATER ChemComp-I9U: 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-IFT: 2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide ChemComp-IGQ: (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide ChemComp-IKL: 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide ChemComp-IUX: ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide 化合物画像なし ChemComp-UG0: Unknown entry 化合物画像なし ChemComp-UEF: Unknown entry
由来	mus musculus (ハツカネズミ)
キーワード	DNA BINDING PROTEIN / glycosylase / inhibitor / OGG1 / protein in complex with fragment inhibitor