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	Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
ジャーナル・号・ページ	J. Med. Chem., Vol. 47, Page 1709-1718, Year 2004
掲載日	2003年12月8日 (構造データの登録日)
著者	Sanders, W.J. / Nienaber, V.L. / Lerner, C.G. / McCall, J.O. / Merrick, S.M. / Swanson, S.J. / Harlan, J.E. / Stoll, V.S. / Stamper, G.F. / Betz, S.F. ...Sanders, W.J. / Nienaber, V.L. / Lerner, C.G. / McCall, J.O. / Merrick, S.M. / Swanson, S.J. / Harlan, J.E. / Stoll, V.S. / Stamper, G.F. / Betz, S.F. / Condroski, K.R. / Meadows, R.P. / Severin, J.M. / Walter, K.A. / Magdalinos, P. / Jakob, C.G. / Wagner, R. / Beutel, B.A.
リンク	J. Med. Chem. / PubMed:15027862
手法	X線回折
解像度	2 - 2.7 Å
構造データ	PDB-1rri: DHNA complex with 3-(5-amino-7-hydroxy-[1,2,3] triazolo [4,5-d]pyrimidin-2-yl)-benzoic acid 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-1rrw: DHNA complexed with 9-methylguanine 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-1rry: DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-1rs2: DHNA complex with 8-Amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione 手法: X-RAY DIFFRACTION / 解像度: 2.31 Å PDB-1rs4: DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-1rsd: DHNA complex with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-1rsi: DHNA complex with 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-1u68: DHNA 7,8 DIHYDRONEOPTERIN COMPLEX 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å
化合物	ChemComp-A45: 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID ChemComp-9MG: 9-METHYLGUANINE / 9-メチルグアニン ChemComp-HOH: WATER ChemComp-204: 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER / 2-アミノ-4-ヒドロキシ-5-ピリミジンカルボン酸エチル ChemComp-209: 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE / 8-アミノテオフィリン ChemComp-45P: 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE ChemComp-PSB: 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE ChemComp-977: 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL / ブロピリミン / 抗がん剤, 抗ウイルス剤YM ChemComp-NPR*: 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE / 2-アミノ-6-[(1S,2S)-1,2,3-トリヒドロキシプロピル]-7,8-ジヒドロプテリジン-4(3H)-オン
由来	staphylococcus aureus (黄色ブドウ球菌)
キーワード	LYASE / DHNA complex with 3-(5-amino-7-hydroxy-[1 / 2 / 3] triazolo [4 / 5-d]pyrimidin-2-yl)-benzoic acid / DHNA complexed with 9-methylguanine / DHNA / 2-amino-4-hydroxy-5-carboxyethylpyrimidine / 7 / 8-Dihydroneop8-Amino-1 / 3-dimethyl-3 / 7-dihydropurine-2 / 6-dioneterin Aldolase / 8-Dihydroneopterin-(5-Amino-7-hydroxy-[1 / 3]triazolo[4 / 5-d]pyrimidin-2-yl)-N-(3 / 5-dichlorobenzyl)-benzamide Aldolase / 8-Dihydroneopterin Aldolase / 3-(5-Amino-7-hydroxy-[1 / 5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide / 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine / 8 DIHYDRONEOPTERIN