1nt1
From Proteopedia
(New page: 200px<br /> <applet load="1nt1" size="450" color="white" frame="true" align="right" spinBox="true" caption="1nt1, resolution 2.00Å" /> '''thrombin in complex...) |
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| - | [[Image:1nt1. | + | [[Image:1nt1.jpg|left|200px]]<br /><applet load="1nt1" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="1nt1" size=" | + | |
caption="1nt1, resolution 2.00Å" /> | caption="1nt1, resolution 2.00Å" /> | ||
'''thrombin in complex with selective macrocyclic inhibitor'''<br /> | '''thrombin in complex with selective macrocyclic inhibitor'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1NT1 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 T76 as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http:// | + | 1NT1 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=T76:'>T76</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NT1 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: thrombin inhibitor complex]] | [[Category: thrombin inhibitor complex]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:30:39 2008'' |
Revision as of 14:30, 15 February 2008
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thrombin in complex with selective macrocyclic inhibitor
Contents |
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.
Disease
Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]
About this Structure
1NT1 is a Single protein structure of sequence from Homo sapiens with as ligand. Active as Thrombin, with EC number 3.4.21.5 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
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