3c1k: Difference between revisions
New page: left|200px {{Structure |PDB= 3c1k |SIZE=350|CAPTION= <scene name='initialview01'>3c1k</scene>, resolution 1.84Å |SITE= <scene name='pdbsite=AC1:T15+Binding+Site+... |
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|PDB= 3c1k |SIZE=350|CAPTION= <scene name='initialview01'>3c1k</scene>, resolution 1.84Å | |PDB= 3c1k |SIZE=350|CAPTION= <scene name='initialview01'>3c1k</scene>, resolution 1.84Å | ||
|SITE= <scene name='pdbsite=AC1:T15+Binding+Site+For+Residue+A+403'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:T15+Binding+Site+For+Residue+A+403'>AC1</scene> | ||
|LIGAND= <scene name='pdbligand=T15:'>T15</scene> | |LIGAND= <scene name='pdbligand=T15:2-{3-[(BENZYLSULFONYL)AMINO]-6-METHYL-2-OXOPYRIDIN-1(2H)-YL}-N-({1-[2-(TERT-BUTYLAMINO)-2-OXOETHYL]-4-METHYL-1H-IMIDAZOL-5-YL}METHYL)ACETAMIDE'>T15</scene>, <scene name='pdbligand=TYS:SULFONATED+TYROSINE'>TYS</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] | |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> | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY= | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3c1k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3c1k OCA], [http://www.ebi.ac.uk/pdbsum/3c1k PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=3c1k RCSB]</span> | |||
}} | }} | ||
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[[Category: Thrombin]] | [[Category: Thrombin]] | ||
[[Category: Yan, Y.]] | [[Category: Yan, Y.]] | ||
[[Category: acute phase]] | [[Category: acute phase]] | ||
[[Category: blood coagulation]] | [[Category: blood coagulation]] | ||
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[[Category: zymogen]] | [[Category: zymogen]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:30:08 2008'' | ||
Revision as of 02:30, 31 March 2008
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| 3c1k, resolution 1.84Å | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sites: | AC1 | ||||||||||||
| Ligands: | T15, TYS | ||||||||||||
| Activity: | Thrombin, with EC number 3.4.21.5 | ||||||||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Crystal structure of thrombin in complex with inhibitor 15
Overview
Guided by X-ray crystallography of thrombin-inhibitor complexes and molecular modeling, alkylation of the N1 nitrogen of the imidazole P1 ligand of the pyridinoneacetamide thrombin inhibitor 1 with various acetamide moieties furnished inhibitors with significantly improved thrombin potency, trypsin selectivity, functional in vitro anticoagulant potency and in vivo antithrombotic efficacy. In the pyrazinoneacetamide series, oral bioavailability was also improved.
About this Structure
3C1K is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles., Isaacs RC, Solinsky MG, Cutrona KJ, Newton CL, Naylor-Olsen AM, McMasters DR, Krueger JA, Lewis SD, Lucas BJ, Kuo LC, Yan Y, Lynch JJ, Lyle EA, Bioorg Med Chem Lett. 2008 Mar 15;18(6):2062-6. Epub 2008 Jan 30. PMID:18291642
Page seeded by OCA on Mon Mar 31 05:30:08 2008
Proteopedia Page Contributors and Editors (what is this?)
- Pages with broken file links
- Homo sapiens
- Protein complex
- Thrombin
- Yan, Y.
- Acute phase
- Blood coagulation
- Calcium
- Cleavage on pair of basic residue
- Disease mutation
- Gamma-carboxyglutamic acid
- Glycoprotein
- Hydrolase
- Kringle
- Pharmaceutical
- Polymorphism
- Protease
- Protease inhibitor
- Secreted
- Serine protease
- Serine protease inhibitor
- Sulfation
- Thrombin inhibitor complex
- Zymogen
