4ivq

Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with IN43/5

spinqualitylabelsall models 4ivq, resolution 1.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4ivq is a 2 chain structure with sequence from Hhv-1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: I43, SO4 Related: 3f0t, 3rdp, 1e2p, 4ivp, 4ivr Gene: TK, TK (UL23), UL23 (HHV-1) Activity: Thymidine kinase, with EC number 2.7.1.21 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [KITH_HHV11] In latent infection, may allow the virus to be reactivated and to grow in cells lacking a high concentration of phosphorylated nucleic acid precursors, such as nerve cells that do not replicate their genome (By similarity). Publication Abstract from PubMed Molecular modeling and phosphorylation assay in vitro were employed to select a novel unsaturated 1,3-dihydroxyisobutenyl thymine derivative 6 as ligand for HSV-1 TK which may be of interest as lead for the development of an positron emission tomography (PET) imaging agent. Compound 6 was successfully prepared using modified approaches. A significant improvement over the syntheses involving pathways A and B (1% and 3% overall yield, respectively), was observed using synthetic route C (14% overall yield). A new N-methyl thymine derivative comprising a dihydroxyisobutenyl unit as ligand for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK).,Kristafor S, Novakovic I, Gazivoda Kraljevic T, Kraljevic Pavelic S, Lucin P, Westermaier Y, Pernot L, Scapozza L, Ametamey SM, Raic-Malic S Bioorg Med Chem Lett. 2011 Oct 15;21(20):6161-5. doi: 10.1016/j.bmcl.2011.07.115., Epub 2011 Aug 6. PMID:21911293 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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