吡啶抑制剂与 4Fe-4S 蛋白 A. aeolicus IspH（LytB）的结合：HYSCORE 研究。
Pyridine inhibitor binding to the 4Fe-4S protein A. aeolicus IspH (LytB): a HYSCORE Investigation.
机构信息
Center for Biophysics and Computational Biology, 607 South Mathews Avenue, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
出版信息
J Am Chem Soc. 2011 May 4;133(17):6525-8. doi: 10.1021/ja2008455. Epub 2011 Apr 12.
Abstract
IspH is a 4Fe-4S protein that carries out an essential reduction step in isoprenoid biosynthesis. Using hyperfine sublevel correlation (HYSCORE) spectroscopy, we show that pyridine inhibitors of IspH directly bind to the unique fourth Fe in the 4Fe-4S cluster, opening up new routes to inhibitor design, of interest in the context of both anti-bacterial as well as anti-malarial drug discovery.
摘要
IspH 是一种 4Fe-4S 蛋白，在异戊烯基生物合成中执行一个必需的还原步骤。我们利用超精细亚层相关（HYSCORE）光谱学表明，IspH 的吡啶抑制剂直接结合到 4Fe-4S 簇中的独特的第四个铁原子上，为抑制剂设计开辟了新的途径，这在抗细菌和抗疟疾药物发现方面都具有重要意义。
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2
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3
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4
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Proc Natl Acad Sci U S A. 2010 Mar 9;107(10):4522-7. doi: 10.1073/pnas.0911087107. Epub 2010 Feb 19.
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6
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Proc Natl Acad Sci U S A. 2010 Jan 19;107(3):1077-81. doi: 10.1073/pnas.0913045107. Epub 2009 Dec 28.
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8
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