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	Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
ジャーナル・号・ページ	Eur. J. Med. Chem., Vol. 258, Page 115604-115604, Year 2023
掲載日	2023年1月27日 (構造データの登録日)
著者	Kesharwani, S. / Raj, P. / Paul, A. / Roy, K. / Bhanot, A. / Mehta, A. / Gopal, A. / Varshney, U. / Gopal, B. / Sundriyal, S.
リンク	Eur. J. Med. Chem. / PubMed:37399710
手法	X線回折
解像度	1.24 - 2.6 Å
構造データ	PDB-8i61: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I 手法: X-RAY DIFFRACTION / 解像度: 1.24 Å PDB-8i62: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-8i63: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form III 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-8i64: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II 手法: X-RAY DIFFRACTION / 解像度: 2.26 Å PDB-8i65: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-8i66: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-8i67: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-8i68: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-8i69: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-8i6a: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-8i6b: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8i6c: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, Form III 手法: X-RAY DIFFRACTION / 解像度: 2.28 Å PDB-8i6d: Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form VI 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å
化合物	ChemComp-BR8: BARBITURIC ACID / バルビツル酸 ChemComp-CIT: CITRIC ACID / クエン酸 ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-HOH: WATER ChemComp-CL: Unknown entry / クロリド ChemComp-5CU: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid / イソオロト酸 ChemComp-OD3: 1,3-thiazolidine-2,4-dione / チアゾリジンジオン ChemComp-URC: URIC ACID / 尿酸 ChemComp-FOT: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID / 5-フルオロオロト酸 ChemComp-ORO: OROTIC ACID / オロチン酸 ChemComp-ODF: 5-oxidanyl-1~{H}-pyrimidine-2,4-dione / 5-ヒドロキシウラシル ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-OG6: 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione ChemComp-PEG*: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル
由来	mycobacterium tuberculosis h37rv (結核菌)
キーワード	HYDROLASE / DNA repair / Base excision repair / Inhibitor-complex / HYDROLASE/INHIBITOR / HYDROLASE-INHIBITOR complex