1jwt
From Proteopedia
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| - | [[Image:1jwt.jpg|left|200px]] | + | [[Image:1jwt.jpg|left|200px]] |
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| - | '''CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR''' | + | {{Structure |
| + | |PDB= 1jwt |SIZE=350|CAPTION= <scene name='initialview01'>1jwt</scene>, resolution 2.5Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=BLI:4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE'>BLI</scene> | ||
| + | |ACTIVITY= [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] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1JWT is a [ | + | 1JWT 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=1JWT OCA]. |
==Reference== | ==Reference== | ||
| - | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues., Levesque S, St-Denis Y, Bachand B, Preville P, Leblond L, Winocour PD, Edmunds JJ, Rubin JR, Siddiqui MA, Bioorg Med Chem Lett. 2001 Dec 17;11(24):3161-4. PMID:[http:// | + | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues., Levesque S, St-Denis Y, Bachand B, Preville P, Leblond L, Winocour PD, Edmunds JJ, Rubin JR, Siddiqui MA, Bioorg Med Chem Lett. 2001 Dec 17;11(24):3161-4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11720865 11720865] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: hydrolase]] | [[Category: hydrolase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:09:31 2008'' |
Revision as of 10:09, 20 March 2008
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| , resolution 2.5Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | Thrombin, with EC number 3.4.21.5 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR
Contents |
Overview
Peptidomimetic inhibitors of thrombin lacking the important Ser195-carbonyl interaction have been prepared. The binding energy lost after the removal of the activated carbonyl was recaptured through a series of modifications of the P1 residues of the bicyclic lactam inhibitors. Selected substituted compounds displayed useful pharmacological profiles both in vitro and in vivo.
Disease
Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]
About this Structure
1JWT is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues., Levesque S, St-Denis Y, Bachand B, Preville P, Leblond L, Winocour PD, Edmunds JJ, Rubin JR, Siddiqui MA, Bioorg Med Chem Lett. 2001 Dec 17;11(24):3161-4. PMID:11720865
Page seeded by OCA on Thu Mar 20 12:09:31 2008
