1urw: Difference between revisions

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-[[Image:1urw.gif|left|200px]]<br />
-<applet load="1urw" size="450" color="white" frame="true" align="right" spinBox="true"
-caption="1urw, resolution 1.6&Aring;" />
-'''CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-B]PYRIDAZINE'''<br />
-==Overview==
+==CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE==
-Modification of imidazo[1,2-a]pyridine CDK inhibitors lead to, identification of less lipophilic imidazo[1,2-b]pyridazine series of CDK, inhibitors. Although several equivalent compounds from these two series, have similar structure and show similar CDK activity, the SAR of the two, series differs significantly. Protein inhibitor structure determination, has confirmed differences in binding mode and given some understanding of, these differences in SAR. Potent and selective imidazo[1,2-b]pyridazine, inhibitors of CDK2 have been identified, which show &gt;1 microM plasma, levels following a 2mg/kg oral dose to mice.
+<StructureSection load='1urw' size='340' side='right'caption='[[1urw]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[1urw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1URW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1URW FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=I1P:2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-'>I1P</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1urw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1urw OCA], [https://pdbe.org/1urw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1urw RCSB], [https://www.ebi.ac.uk/pdbsum/1urw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1urw ProSAT]</span></td></tr>
+</table>
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ur/1urw_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1urw ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Modification of imidazo[1,2-a]pyridine CDK inhibitors lead to identification of less lipophilic imidazo[1,2-b]pyridazine series of CDK inhibitors. Although several equivalent compounds from these two series have similar structure and show similar CDK activity, the SAR of the two series differs significantly. Protein inhibitor structure determination has confirmed differences in binding mode and given some understanding of these differences in SAR. Potent and selective imidazo[1,2-b]pyridazine inhibitors of CDK2 have been identified, which show &gt;1 microM plasma levels following a 2mg/kg oral dose to mice.
-==About this Structure==
+Imidazo[1,2-b]pyridazines: a potent and selective class of cyclin-dependent kinase inhibitors.,Byth KF, Cooper N, Culshaw JD, Heaton DW, Oakes SE, Minshull CA, Norman RA, Pauptit RA, Tucker JA, Breed J, Pannifer A, Rowsell S, Stanway JJ, Valentine AL, Thomas AP Bioorg Med Chem Lett. 2004 May 3;14(9):2249-52. PMID:15081018<ref>PMID:15081018</ref>
-URW is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]] with ACE and I1P as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Transferred_entry:_2.7.11.1 Transferred entry: 2.7.11.1]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37]]. Structure known Active Site: AC2. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1URW OCA]].
-==Reference==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-Imidazo[1,2-b]pyridazines: a potent and selective class of cyclin-dependent kinase inhibitors., Byth KF, Cooper N, Culshaw JD, Heaton DW, Oakes SE, Minshull CA, Norman RA, Pauptit RA, Tucker JA, Breed J, Pannifer A, Rowsell S, Stanway JJ, Valentine AL, Thomas AP, Bioorg Med Chem Lett. 2004 May 3;14(9):2249-52. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15081018 15081018]
+</div>
+<div class="pdbe-citations 1urw" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Cyclin-dependent kinase 3D structures|Cyclin-dependent kinase 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Single protein]]
+[[Category: Large Structures]]
-[[Category: Transferred entry: 2.7.11.1]]
+[[Category: Breed J]]
-[[Category: Breed, J.]]
+[[Category: Byth KF]]
-[[Category: Byth, K.F.]]
+[[Category: Cooper N]]
-[[Category: Cooper, N.]]
+[[Category: Culshaw JD]]
-[[Category: Culshaw, J.D.]]
+[[Category: Heaton DW]]
-[[Category: Heaton, D.W.]]
+[[Category: Minshull CA]]
-[[Category: Minshull, C.A.]]
+[[Category: Norman RA]]
-[[Category: Norman, R.A.]]
+[[Category: Oakes SE]]
-[[Category: Oakes, S.E.]]
+[[Category: Pannifer A]]
-[[Category: Pannifer, A.]]
+[[Category: Pauptit RA]]
-[[Category: Pauptit, R.A.]]
+[[Category: Rowsell S]]
-[[Category: Rowsell, S.]]
+[[Category: Stanway JJ]]
-[[Category: Stanway, J.J.]]
+[[Category: Thomas AP]]
-[[Category: Thomas, A.P.]]
+[[Category: Tucker JA]]
-[[Category: Valentine, A.L.]]
+[[Category: Valentine AL]]
-[[Category: Yucker, J.A.]]
-[[Category: ACE]]
-[[Category: I1P]]
-[[Category: mitosis]]
-[[Category: serine/threonine-protein kinase]]
-[[Category: transferase]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 13:24:00 2007''