2np8: Difference between revisions

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==Overview==

The 2.25 A crystal structure of a complex of Aurora A kinase (AIKA) with, cyclopropanecarboxylic, acid-(3-(4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino)-phenyl)-am, ide 1 is described here. The inhibitor binding mode is novel, with the, cyclopropanecarboxylic acid moiety directed towards the solvent exposed, region of the ATP-binding pocket, and several induced structural changes, in the active-site compared with other published AIK structures. This, structure provides context for the available SAR data on this compound, class, and could be exploited for the design of analogs with increased, affinity and selectivity for AIK.

The 2.25 A crystal structure of a complex of Aurora A kinase (AIKA) with cyclopropanecarboxylic acid-(3-(4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino)-phenyl)-am ide 1 is described here. The inhibitor binding mode is novel, with the cyclopropanecarboxylic acid moiety directed towards the solvent exposed region of the ATP-binding pocket, and several induced structural changes in the active-site compared with other published AIK structures. This structure provides context for the available SAR data on this compound class, and could be exploited for the design of analogs with increased affinity and selectivity for AIK.

==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==

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[[Category: Non-specific serine/threonine protein kinase]]

[[Category: Single protein]]

[[Category: Bensen, D.C.]]

[[Category: Bensen, D C.]]

[[Category: Hoffman, I.D.]]

[[Category: Hoffman, I D.]]

[[Category: Hunter, M.J.]]

[[Category: Hunter, M J.]]

[[Category: McRee, D.E.]]

[[Category: McRee, D E.]]

[[Category: Nelson, K.J.]]

[[Category: Nelson, K J.]]

[[Category: Nix, J.]]

[[Category: Swanson, R.V.]]

[[Category: Swanson, R V.]]

[[Category: Tari, L.W.]]

[[Category: Tari, L W.]]

[[Category: CC3]]

[[Category: SO4]]

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[[Category: kinase inhibitor]]

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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:09:21 2008''

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@@ Line 4: / Line 4: @@
 ==Overview==
-The 2.25 A crystal structure of a complex of Aurora A kinase (AIKA) with, cyclopropanecarboxylic, acid-(3-(4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino)-phenyl)-am, ide 1 is described here. The inhibitor binding mode is novel, with the, cyclopropanecarboxylic acid moiety directed towards the solvent exposed, region of the ATP-binding pocket, and several induced structural changes, in the active-site compared with other published AIK structures. This, structure provides context for the available SAR data on this compound, class, and could be exploited for the design of analogs with increased, affinity and selectivity for AIK.
+The 2.25 A crystal structure of a complex of Aurora A kinase (AIKA) with cyclopropanecarboxylic acid-(3-(4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino)-phenyl)-am ide 1 is described here. The inhibitor binding mode is novel, with the cyclopropanecarboxylic acid moiety directed towards the solvent exposed region of the ATP-binding pocket, and several induced structural changes in the active-site compared with other published AIK structures. This structure provides context for the available SAR data on this compound class, and could be exploited for the design of analogs with increased affinity and selectivity for AIK.
+==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==
@@ Line 14: / Line 17: @@
 [[Category: Non-specific serine/threonine protein kinase]]
 [[Category: Single protein]]
-[[Category: Bensen, D.C.]]
+[[Category: Bensen, D C.]]
-[[Category: Hoffman, I.D.]]
+[[Category: Hoffman, I D.]]
-[[Category: Hunter, M.J.]]
+[[Category: Hunter, M J.]]
-[[Category: McRee, D.E.]]
+[[Category: McRee, D E.]]
-[[Category: Nelson, K.J.]]
+[[Category: Nelson, K J.]]
 [[Category: Nix, J.]]
-[[Category: Swanson, R.V.]]
+[[Category: Swanson, R V.]]
-[[Category: Tari, L.W.]]
+[[Category: Tari, L W.]]
 [[Category: CC3]]
 [[Category: SO4]]
@@ Line 30: / Line 33: @@
 [[Category: kinase inhibitor]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 15:03:41 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:09:21 2008''