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	Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
ジャーナル・号・ページ	Proc. Natl. Acad. Sci. USA, Vol. 110, Page 12984-12989, Year 2013
掲載日	2012年1月18日 (構造データの登録日)
著者	Silvestre, H.L. / Blundell, T.L. / Abell, C. / Ciulli, A.
リンク	Proc. Natl. Acad. Sci. USA / PubMed:23872845
手法	X線回折
解像度	1.63 - 2.33 Å
構造データ	PDB-4ddh: Pantothenate synthetase in complex with 6-methoxy-1-benzofuran-3-yl acetic acid 手法: X-RAY DIFFRACTION / 解像度: 2.07 Å PDB-4ddk: Pantothenate synthetase in complex with 1,3-benzodioxole-5-carboxylic acid 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-4ddm: Pantothenate synthetase in complex with 2,1,3-benzothiadiazole-5-carboxylic acid 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-4de5: Pantothenate synthetase in complex with fragment 6 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-4ef6: Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in complex with fragment 1 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-4efk: Pantothenate synthetase in complex with N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-4fzj: Pantothenate synthetase in complex with 1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-4g5f: Pantothenate synthetase in complex with racemate (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID and (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID 手法: X-RAY DIFFRACTION / 解像度: 2.33 Å PDB-4g5y: Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in a ternary complex with ATP and N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å
化合物	ChemComp-EOH: ETHANOL ChemComp-MS0: (6-methoxy-1-benzofuran-3-yl)acetic acid ChemComp-EDO: 1,2-ETHANEDIOL ChemComp-GOL: GLYCEROL ChemComp-HOH: WATER ChemComp-0HN: 1,3-benzodioxole-5-carboxylic acid ChemComp-0HO: 2,1,3-benzothiadiazole-5-carboxylic acid ChemComp-0JD: (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid ChemComp-I2E: 3-(1,3-benzodioxol-5-yl)propanoic acid ChemComp-0OC: N,N-dimethylthiophene-3-sulfonamide ChemComp-IMD: IMIDAZOLE ChemComp-SO4: SULFATE ION ChemComp-0W1: 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid ChemComp-15N: (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid ChemComp-ATP: ADENOSINE-5'-TRIPHOSPHATE / ATP, エネルギー貯蔵分子YM ChemComp-MG*: Unknown entry
由来	mycobacterium tuberculosis (結核菌)
キーワード	ligase/ligase inhibitor / Fragment-based drug discovery / Alpha Beta/Adenine nucleotide alpha hydrolase-like / pantoate and b-Ala binding / ligase-ligase inhibitor complex / protein in complex with fragment / Pantoate-beta-alanine ligase / Alpha Beta/3-Layer(aba) Sandwich/Rossmann fold / Alpha Beta/3-Layer Sandwich/Rossmann fold / LIGASE / Rossmann Fold / ATP + (R)-pantoate + beta-alanine / citoplasm / Alpha Beta 3-Layer(aba) Sandwich Rossmann fold / ATP binding Pantoate binding beta-Alanine binding / drug design / fragment-based / pantothenate biosynthesis