1uou

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[[Image:1uou.gif|left|200px]]<br /><applet load="1uou" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1uou.gif|left|200px]]
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caption="1uou, resolution 2.11&Aring;" />
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'''CRYSTAL STRUCTURE OF HUMAN THYMIDINE PHOSPHORYLASE IN COMPLEX WITH A SMALL MOLECULE INHIBITOR'''<br />
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{{Structure
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|PDB= 1uou |SIZE=350|CAPTION= <scene name='initialview01'>1uou</scene>, resolution 2.11&Aring;
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|SITE= <scene name='pdbsite=AC1:Cmu+Binding+Site+For+Chain+A'>AC1</scene>
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|LIGAND= <scene name='pdbligand=CMU:5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL'>CMU</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Thymidine_phosphorylase Thymidine phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.4 2.4.2.4]
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|GENE=
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}}
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'''CRYSTAL STRUCTURE OF HUMAN THYMIDINE PHOSPHORYLASE IN COMPLEX WITH A SMALL MOLECULE INHIBITOR'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1UOU is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=CMU:'>CMU</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Thymidine_phosphorylase Thymidine phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.4 2.4.2.4] Known structural/functional Site: <scene name='pdbsite=AC1:Cmu+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UOU OCA].
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1UOU is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UOU OCA].
==Reference==
==Reference==
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Crystal structure of human thymidine phosphorylase in complex with a small molecule inhibitor., Norman RA, Barry ST, Bate M, Breed J, Colls JG, Ernill RJ, Luke RW, Minshull CA, McAlister MS, McCall EJ, McMiken HH, Paterson DS, Timms D, Tucker JA, Pauptit RA, Structure. 2004 Jan;12(1):75-84. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=14725767 14725767]
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Crystal structure of human thymidine phosphorylase in complex with a small molecule inhibitor., Norman RA, Barry ST, Bate M, Breed J, Colls JG, Ernill RJ, Luke RW, Minshull CA, McAlister MS, McCall EJ, McMiken HH, Paterson DS, Timms D, Tucker JA, Pauptit RA, Structure. 2004 Jan;12(1):75-84. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14725767 14725767]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: transferase]]
[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:26:55 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:34:56 2008''

Revision as of 12:34, 20 March 2008

Image:1uou.gif


PDB ID 1uou

Drag the structure with the mouse to rotate
, resolution 2.11Å
Sites:
Ligands:
Activity: Thymidine phosphorylase, with EC number 2.4.2.4
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF HUMAN THYMIDINE PHOSPHORYLASE IN COMPLEX WITH A SMALL MOLECULE INHIBITOR


Contents

Overview

Human thymidine phosphorylase (HTP), also known as platelet-derived endothelial cell growth factor (PD-ECGF), is overexpressed in certain solid tumors where it is linked to poor prognosis. HTP expression is utilized for certain chemotherapeutic strategies and is also thought to play a role in tumor angiogenesis. We determined the structure of HTP bound to the small molecule inhibitor 5-chloro-6-[1-(2-iminopyrrolidinyl) methyl] uracil hydrochloride (TPI). The inhibitor appears to mimic the substrate transition state, which may help explain the potency of this inhibitor and the catalytic mechanism of pyrimidine nucleotide phosphorylases (PYNPs). Further, we have confirmed the validity of the HTP structure as a template for structure-based drug design by predicting binding affinities for TPI and other known HTP inhibitors using in silico docking techniques. This work provides the first structural insight into the binding mode of any inhibitor to this important drug target and forms the basis for designing novel inhibitors for use in anticancer therapy.

Disease

Known disease associated with this structure: Mitochondrial neurogastrointestinal encephalomyopathy syndrome OMIM:[131222]

About this Structure

1UOU is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Crystal structure of human thymidine phosphorylase in complex with a small molecule inhibitor., Norman RA, Barry ST, Bate M, Breed J, Colls JG, Ernill RJ, Luke RW, Minshull CA, McAlister MS, McCall EJ, McMiken HH, Paterson DS, Timms D, Tucker JA, Pauptit RA, Structure. 2004 Jan;12(1):75-84. PMID:14725767

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