1vyq
From Proteopedia
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==About this Structure== | ==About this Structure== | ||
| - | 1VYQ is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]] with DUX as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/ | + | 1VYQ is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]] with DUX as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1VYQ OCA]]. |
==Reference== | ==Reference== | ||
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[[Category: plasmodium falciparum]] | [[Category: plasmodium falciparum]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 09: | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 09:57:28 2007'' |
Revision as of 07:52, 30 October 2007
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NOVEL INHIBITORS OF PLASMODIUM FALCIPARUM DUTPASE PROVIDE A PLATFORM FOR ANTI-MALARIAL DRUG DESIGN
Overview
Pyrimidine metabolism is a major route for therapeutic intervention, against malaria. Here we report inhibition and structural studies on the, deoxyuridine nucleotidohydrolase from the malaria parasite Plasmodium, falciparum (PfdUTPase). We have identified a series of triphenylmethane, derivatives of deoxyuridine with antimalarial activity in vitro which, inhibit specifically the Plasmodium dUTPase versus the human enzyme. A 2.4, Angstrom crystal structure of PfdUTPase in complex with one of these, inhibitors reveals an atypical trimeric enzyme in which the, triphenylmethane derivative can be seen to select for PfdUTPase by way of, interactions between the trityl group and the side chains of residues, Phe46 and Ile117. Immunofluorescence microscopy studies of parasitized red, blood cells ... [(full description)]
About this Structure
1VYQ is a [Single protein] structure of sequence from [Plasmodium falciparum] with DUX as [ligand]. Active as [dUTP diphosphatase], with EC number [3.6.1.23]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
dUTPase as a platform for antimalarial drug design: structural basis for the selectivity of a class of nucleoside inhibitors., Whittingham JL, Leal I, Nguyen C, Kasinathan G, Bell E, Jones AF, Berry C, Benito A, Turkenburg JP, Dodson EJ, Ruiz Perez LM, Wilkinson AJ, Johansson NG, Brun R, Gilbert IH, Gonzalez Pacanowska D, Wilson KS, Structure. 2005 Feb;13(2):329-38. PMID:15698576
Page seeded by OCA on Tue Oct 30 09:57:28 2007
Categories: Plasmodium falciparum | Single protein | Bell, E. | Benito, A. | Berry, C. | Brun, R. | Dodson, E.J. | Gilbert, I.H. | Johansson, N.G. | Jones, A.F. | Kasinathan, G. | Leal, I. | Nguyen, C. | Pacanowska, D.Gonzalez. | Perez, L.M.Ruiz. | Turkenburg, J.P. | Whittingham, J.L. | Wilkinson, A.J. | Wilson, K.S. | DUX | Deoxyuridine nucleotidohydrolase | Drug design | Dutpase | Hydrolase | Malaria
