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3e63
From Proteopedia
| 3e63, resolution 1.90Å () | |||||||||
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| Sites: | |||||||||
| Ligands: | |||||||||
| Non-Standard Residues: | |||||||||
| Gene: | JAK2 (Homo sapiens) | ||||||||
| Activity: | Non-specific protein-tyrosine kinase, with EC number 2.7.10.2 | ||||||||
| Related: | 3e62, 3e64
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
Fragment based discovery of JAK-2 inhibitors
Fragment-based hit identification coupled with crystallographically enabled structure-based drug design was used to design potent inhibitors of JAK-2. After two iterations from fragment 1, we were able to increase potency by greater than 500-fold to provide sulfonamide 13, a 78-nM JAK-2 inhibitor.
Fragment-based discovery of JAK-2 inhibitors., Antonysamy S, Hirst G, Park F, Sprengeler P, Stappenbeck F, Steensma R, Wilson M, Wong M, Bioorg Med Chem Lett. 2009 Jan 1;19(1):279-82. Epub 2008 Aug 22. PMID:19019674
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
3e63 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
- Antonysamy S, Hirst G, Park F, Sprengeler P, Stappenbeck F, Steensma R, Wilson M, Wong M. Fragment-based discovery of JAK-2 inhibitors. Bioorg Med Chem Lett. 2009 Jan 1;19(1):279-82. Epub 2008 Aug 22. PMID:19019674 doi:10.1016/j.bmcl.2008.08.064
Categories: Homo sapiens | Non-specific protein-tyrosine kinase | Antonysamy, S. | Fang, W. | Hirst, G. | Park, F. | Russell, M. | Smyth, L. | Sprengeler, P. | Stappenbeck, F. | Steensma, R. | Thompson, D A. | Wilson, M. | Wong, M. | Zhang, A. | Zhang, F. | Atp-binding | Disease mutation | Drug discovery | Fragment based | Jak2 | Kinase | Membrane | Nucleotide-binding | Phosphoprotein | Proto-oncogene | Sh2 domain | Transferase | Tyrosine-protein kinase
