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

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 Descriptor: 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE, Dihydroneopterin aldolase Authors: 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. Deposit date: 2003-12-09 Release date: 2004-03-30 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004

本数据集为DHNA，即7,8-二氢新蝶呤醛缩酶（7,8-Dihydroneopterin Aldolase）与3-(5-氨基-7-羟基-[1,2,3]三唑并[4,5-d]嘧啶-2-基)-N-(3,5-二氯苄基)-苯甲酰胺结合的复合物。
配体描述：3-(5-氨基-7-羟基-[1,2,3]三唑并[4,5-d]嘧啶-2-基)-N-(3,5-二氯苄基)-苯甲酰胺
作者：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.、Condroski, K.R.、Meadows, R.P.、Severin, J.M.、Walter, K.A.、Magdalinos, P.、Jakob, C.G.、Wagner, R.、Beutel, B.A.
存放日期：2003-12-09
发布日期：2004-03-30
最后修改日期：2024-02-14
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.7埃（Å）
引用文献：《利用CrystaLEAD高通量X射线晶体学筛选与结构导向先导优化发现二氢新蝶呤醛缩酶强效抑制剂》，刊载于《药物化学杂志》（J.Med.Chem.），2004年，第47卷