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. Author manuscript; available in PMC: 2011 May 5.
Published in final edited form as: Nat Biotechnol. 2009 Apr;27(4):320–321. doi: 10.1038/nbt0409-320

Figure 1.

Figure 1

TDI kernel snapshot of the web page for the Plasmodium falciparum thymidylate kinase target (http://tropicaldisease.org/kernel/q8i4s1/). Our computational pipeline predicted that thymidylate kinase from P. falciparum binds ATM (3'-azido-3'-deoxythymidine-5'-monophosphate), a supra-structure of the Zidovudine drug approved for the treatment of HIV infection. The binding of this ligand to a site on the kinase was experimentally validated by 1D Water-LOGSY11 and Saturation Transfer Difference12 NMR experiments.