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| {{STRUCTURE_1t1s| PDB=1t1s | SCENE= }} | | {{STRUCTURE_1t1s| PDB=1t1s | SCENE= }} |
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| '''Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate'''
| | ===Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate=== |
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| ==Overview==
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| We have obtained the single-crystal X-ray crystallographic structures of the bisphosphonates [(1-isoquinolinylamino)methylene]-1,1-bisphosphonate and [[(5-chloro-2-pyridinyl)amino]methylene]-1,1-bisphosphonate, bound to the enzyme 1-deoxyxylulose-5-phosphate reductoisomerase (DXR, EC 1.1.1.267, also known as 2-C-methyl-d-erythritol-4-phosphate synthase), an important target for the development of antimalarial drugs. Our results indicate that both bisphosphonates bind into the fosmidomycin binding site. The aromatic groups are in a shallow hydrophobic pocket, and the phosphonate groups are involved in electrostatic interactions with Mg2+ or a cluster of carboxylic acid groups and lysine while the fosmidomycin phosphonate-binding site is occupied by a sulfate ion (as also observed in the DXR/NADP+ structure). The availability of these two new crystal structures opens up the possibility of the further development of bisphosphonates and related systems as DXR inhibitors and, potentially, as antiinfective agents.
| | The line below this paragraph, {{ABSTRACT_PUBMED_15339150}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 15339150 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_15339150}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Yin, F.]] | | [[Category: Yin, F.]] |
| [[Category: Three domain]] | | [[Category: Three domain]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 09:23:57 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 18:55:50 2008'' |
