2j4z
From Proteopedia
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|PDB= 2j4z |SIZE=350|CAPTION= <scene name='initialview01'>2j4z</scene>, resolution 2.00Å | |PDB= 2j4z |SIZE=350|CAPTION= <scene name='initialview01'>2j4z</scene>, resolution 2.00Å | ||
|SITE= <scene name='pdbsite=AC1:Ars+Binding+Site+For+Chain+A'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:Ars+Binding+Site+For+Chain+A'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand=626:4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE'>626</scene> | + | |LIGAND= <scene name='pdbligand=626:4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE'>626</scene>, <scene name='pdbligand=ARS:ARSENIC'>ARS</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2j4z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2j4z OCA], [http://www.ebi.ac.uk/pdbsum/2j4z PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2j4z RCSB]</span> | ||
}} | }} | ||
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==Overview== | ==Overview== | ||
The optimization of a series of 5-phenylacetyl 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole derivatives toward the inhibition of Aurora kinases led to the identification of compound 9d. This is a potent inhibitor of Aurora kinases that also shows low nanomolar potency against additional anticancer kinase targets. Based on its high antiproliferative activity on different cancer cell lines, favorable chemico-physical and pharmacokinetic properties, and high efficacy in in vivo tumor models, compound 9d was ultimately selected for further development. | The optimization of a series of 5-phenylacetyl 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole derivatives toward the inhibition of Aurora kinases led to the identification of compound 9d. This is a potent inhibitor of Aurora kinases that also shows low nanomolar potency against additional anticancer kinase targets. Based on its high antiproliferative activity on different cancer cell lines, favorable chemico-physical and pharmacokinetic properties, and high efficacy in in vivo tumor models, compound 9d was ultimately selected for further development. | ||
| - | |||
| - | ==Disease== | ||
| - | Known diseases associated with this structure: Colon cancer, susceptibility to OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=603072 603072]] | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: Varasi, M.]] | [[Category: Varasi, M.]] | ||
[[Category: Vianello, P.]] | [[Category: Vianello, P.]] | ||
| - | [[Category: 626]] | ||
| - | [[Category: ARS]] | ||
[[Category: atp-binding]] | [[Category: atp-binding]] | ||
[[Category: cell cycle]] | [[Category: cell cycle]] | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
| - | ''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 03:53:01 2008'' |
Revision as of 00:53, 31 March 2008
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| , resolution 2.00Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
STRUCTURE OF AURORA-2 IN COMPLEX WITH PHA-680626
Overview
The optimization of a series of 5-phenylacetyl 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole derivatives toward the inhibition of Aurora kinases led to the identification of compound 9d. This is a potent inhibitor of Aurora kinases that also shows low nanomolar potency against additional anticancer kinase targets. Based on its high antiproliferative activity on different cancer cell lines, favorable chemico-physical and pharmacokinetic properties, and high efficacy in in vivo tumor models, compound 9d was ultimately selected for further development.
About this Structure
2J4Z is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile., Fancelli D, Moll J, Varasi M, Bravo R, Artico R, Berta D, Bindi S, Cameron A, Candiani I, Cappella P, Carpinelli P, Croci W, Forte B, Giorgini ML, Klapwijk J, Marsiglio A, Pesenti E, Rocchetti M, Roletto F, Severino D, Soncini C, Storici P, Tonani R, Zugnoni P, Vianello P, J Med Chem. 2006 Nov 30;49(24):7247-51. PMID:17125279
Page seeded by OCA on Mon Mar 31 03:53:01 2008
Categories: Homo sapiens | Single protein | Berta, D. | Bindi, S. | Cameron, A D. | Fancelli, D. | Forte, B. | Izzo, G. | Rusconi, L. | Severino, D. | Storici, P. | Tonani, R. | Varasi, M. | Vianello, P. | Atp-binding | Cell cycle | Kinase | Nucleotide- binding | Nucleotide-binding | Phosphorylation | Serine-threonine-protein kinase | Serine/threonine-protein kinase | Transferase
