1way
From Proteopedia
(New page: 200px<br /> <applet load="1way" size="450" color="white" frame="true" align="right" spinBox="true" caption="1way, resolution 2.02Å" /> '''ACTIVE SITE THROMBI...) |
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==About this Structure== | ==About this Structure== | ||
| - | 1WAY is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]] with L02 and DMS as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/ ]], 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://ispc.weizmann.ac.il/oca-bin/ocashort?id=1WAY OCA]]. | + | 1WAY is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]] with L02 and DMS as [[http://en.wikipedia.org/wiki/ligands ligands]]. 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]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1WAY OCA]]. |
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| + | [[Category: Thrombin]] | ||
[[Category: Cleasby, A.]] | [[Category: Cleasby, A.]] | ||
[[Category: Frederickson, M.]] | [[Category: Frederickson, M.]] | ||
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[[Category: vitamin k]] | [[Category: vitamin k]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 13:57:04 2007'' |
Revision as of 11:52, 30 October 2007
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ACTIVE SITE THROMBIN INHIBITORS
Overview
Fragment screening offers an alternative to traditional screening for, discovering new leads in drug discovery programs. This paper describes a, fragment screening methodology based on high throughput X-ray, crystallography. The method is illustrated against five proteins (p38 MAP, kinase, CDK2, thrombin, ribonuclease A, and PTP1B). The fragments, identified have weak potency (>100 microM) but are efficient binders, relative to their size and may therefore represent suitable starting, points for evolution to good quality lead compounds. The examples, illustrate that a range of molecular interactions (i.e., lipophilic, charge-charge, neutral hydrogen bonds) can drive fragment binding and also, that fragments can induce protein movement. We believe that the method has, great potential ... [(full description)]
About this Structure
1WAY is a [Protein complex] structure of sequences from [Homo sapiens] with L02 and DMS as [ligands]. Active as [Thrombin], with EC number [3.4.21.5]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
Fragment-based lead discovery using X-ray crystallography., Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H, J Med Chem. 2005 Jan 27;48(2):403-13. PMID:15658854
Page seeded by OCA on Tue Oct 30 13:57:04 2007
Categories: Homo sapiens | Protein complex | Thrombin | Cleasby, A. | Frederickson, M. | Hartshorn, M.J. | Jhoti, H. | Murray, C.W. | Tickle, I.J. | DMS | L02 | Acute phase | Blood coagulation | Calcium-binding | Direct protein sequencing | Disease mutation | Gamma-carboxyglutamic acid | Glycoprotein | Hydrolase | Kringle | Plasma | Polymorphism | Protease | Serine protease | Vitamin k
