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-Structure paper
タイトル | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. |
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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: PDB-1rrw: PDB-1rry: PDB-1rs2: PDB-1rs4: PDB-1rsd: PDB-1rsi: PDB-1u68: |
化合物 | ChemComp-A45: ChemComp-9MG: ChemComp-HOH: ChemComp-204: ChemComp-209: ChemComp-45P: ChemComp-PSB: ChemComp-977: ChemComp-NPR: |
由来 |
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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 |