Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure
Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure
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DOI：
10.1016/j.bmcl.2005.10.036
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发表时间：
2006-01-01
影响因子：
2.7
通讯作者：
Neidle, S
中科院分区：
文献类型：
--
作者：
Campbell, NH;Evans, DA;Neidle, S
测定了DNA小槽苯基苯并咪唑二胺配体DB819的晶体结构，它与DNA序列d(CGAATTCGCG)(2)结合，分辨率为1.36埃。确定了在电子对接中重现配位体在小凹槽中的观察位置的可靠条件。(C)2005爱思唯尔有限公司。保留所有权利。
The crystal structure of the DNA minor groove phenyl benzimidazole diamidine ligand DB819 has been determined, bound to the DNA sequence d(CGCGAATTCGCG)(2), at a resolution of 1.36 angstrom. Conditions for reliable in silico docking that reproduce the observed position of the ligand in the minor groove have been determined. (c) 2005 Elsevier Ltd. All rights reserved.