1nt1

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[[Image:1nt1.jpg|left|200px]]
[[Image:1nt1.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1nt1 |SIZE=350|CAPTION= <scene name='initialview01'>1nt1</scene>, resolution 2.00&Aring;
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The line below this paragraph, containing "STRUCTURE_1nt1", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=T76:(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE'>T76</scene>, <scene name='pdbligand=TYS:SULFONATED+TYROSINE'>TYS</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1nt1| PDB=1nt1 | SCENE= }}
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|RELATEDENTRY=[[1nm6|1NM6]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1nt1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nt1 OCA], [http://www.ebi.ac.uk/pdbsum/1nt1 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1nt1 RCSB]</span>
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}}
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'''thrombin in complex with selective macrocyclic inhibitor'''
'''thrombin in complex with selective macrocyclic inhibitor'''
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[[Category: Yan, Y.]]
[[Category: Yan, Y.]]
[[Category: Young, M.]]
[[Category: Young, M.]]
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[[Category: thrombin inhibitor complex]]
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[[Category: Thrombin inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 02:56:37 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:35:06 2008''
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Revision as of 23:56, 2 May 2008

Image:1nt1.jpg

Template:STRUCTURE 1nt1

thrombin in complex with selective macrocyclic inhibitor


Overview

A series of potent and selective proline- and pyrazinone-based macrocyclic thrombin inhibitors is described. Detailed SAR studies led to the incorporation of specific functional groups in the tether that enhanced functional activity against thrombin and provided exquisite selectivity against trypsin and tPA. X-ray crystallography and molecular modeling studies revealed the inhibitor-enzyme interactions responsible for this selectivity.

About this Structure

1NT1 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Design and synthesis of potent and selective macrocyclic thrombin inhibitors., Nantermet PG, Barrow JC, Newton CL, Pellicore JM, Young M, Lewis SD, Lucas BJ, Krueger JA, McMasters DR, Yan Y, Kuo LC, Vacca JP, Selnick HG, Bioorg Med Chem Lett. 2003 Aug 18;13(16):2781-4. PMID:12873514 Page seeded by OCA on Sat May 3 02:56:37 2008

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OCA

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