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2wpa

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== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[2wpa]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPA FirstGlance]. <br>
<table><tr><td colspan='2'>[[2wpa]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPA FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=889:N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE'>889</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=889:N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE'>889</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1pye|1pye]], [[1h08|1h08]], [[2vth|2vth]], [[2b53|2b53]], [[1v1k|1v1k]], [[1okv|1okv]], [[1h25|1h25]], [[1ke7|1ke7]], [[1pxk|1pxk]], [[2wih|2wih]], [[2bhh|2bhh]], [[2vta|2vta]], [[2uue|2uue]], [[1gz8|1gz8]], [[1e1v|1e1v]], [[1ol2|1ol2]], [[1h27|1h27]], [[1jsv|1jsv]], [[2b52|2b52]], [[2wha|2wha]], [[1ke5|1ke5]], [[1fin|1fin]], [[2c5o|2c5o]], [[2c68|2c68]], [[2vtt|2vtt]], [[1p2a|1p2a]], [[2c4g|2c4g]], [[2vtq|2vtq]], [[1h1q|1h1q]], [[1w0x|1w0x]], [[1pxo|1pxo]], [[2w05|2w05]], [[1ke9|1ke9]], [[2a0c|2a0c]], [[1hck|1hck]], [[1jsu|1jsu]], [[1pxn|1pxn]], [[2uze|2uze]], [[2v0d|2v0d]], [[2vtm|2vtm]], [[1oiq|1oiq]], [[1h1r|1h1r]], [[2iw8|2iw8]], [[1pw2|1pw2]], [[1hcl|1hcl]], [[1gih|1gih]], [[2whb|2whb]], [[2w06|2w06]], [[2vtn|2vtn]], [[1jst|1jst]], [[1oiu|1oiu]], [[1pxm|1pxm]], [[1b38|1b38]], [[1fq1|1fq1]], [[1vyw|1vyw]], [[1h1p|1h1p]], [[2wma|2wma]], [[2c69|2c69]], [[1urc|1urc]], [[1pxi|1pxi]], [[2c6i|2c6i]], [[1ykr|1ykr]], [[2w17|2w17]], [[2c6k|2c6k]], [[2c5y|2c5y]], [[2uzd|2uzd]], [[1wcc|1wcc]], [[2j9m|2j9m]], [[1vyz|1vyz]], [[2vti|2vti]], [[1jvp|1jvp]], [[1w98|1w98]], [[2wip|2wip]], [[1pkd|1pkd]], [[1p5e|1p5e]], [[2vts|2vts]], [[2c5p|2c5p]], [[2uzn|2uzn]], [[2b54|2b54]], [[1ke6|1ke6]], [[1pxj|1pxj]], [[2uzl|2uzl]], [[2cci|2cci]], [[2g9x|2g9x]], [[2bkz|2bkz]], [[1y91|1y91]], [[2iw6|2iw6]], [[1gij|1gij]], [[1r78|1r78]], [[1h0v|1h0v]], [[2iw9|2iw9]], [[1w8c|1w8c]], [[1buh|1buh]], [[2bpm|2bpm]], [[2bts|2bts]], [[1fvv|1fvv]], [[1okw|1okw]], [[2a4l|2a4l]], [[2vtp|2vtp]], [[2c6t|2c6t]], [[1fvt|1fvt]], [[1qmz|1qmz]], [[2w1h|2w1h]], [[2vu3|2vu3]], [[2b55|2b55]], [[1ogu|1ogu]], [[1pf8|1pf8]], [[1h1s|1h1s]], [[2c5v|2c5v]], [[2jgz|2jgz]], [[2bhe|2bhe]], [[1urw|1urw]], [[1oiy|1oiy]], [[2c6l|2c6l]], [[1f5q|1f5q]], [[2c6o|2c6o]], [[2vtl|2vtl]], [[1ol1|1ol1]], [[1h01|1h01]], [[2uzb|2uzb]], [[2wfy|2wfy]], [[1oir|1oir]], [[1oi9|1oi9]], [[2vtj|2vtj]], [[2cjm|2cjm]], [[2c5n|2c5n]], [[2wev|2wev]], [[2c5x|2c5x]], [[2c6m|2c6m]], [[1oit|1oit]], [[1gy3|1gy3]], [[2v22|2v22]], [[2vv9|2vv9]], [[1di8|1di8]], [[1gii|1gii]], [[2wmb|2wmb]], [[1e9h|1e9h]], [[1dm2|1dm2]], [[2vto|2vto]], [[1h24|1h24]], [[2uzo|2uzo]], [[2exm|2exm]], [[1h00|1h00]], [[2clx|2clx]], [[1pxp|1pxp]], [[2cch|2cch]], [[2btr|2btr]], [[1b39|1b39]], [[1aq1|1aq1]], [[1h0w|1h0w]], [[1g5s|1g5s]], [[1ckp|1ckp]], [[1pxl|1pxl]], [[1h28|1h28]], [[1ke8|1ke8]], [[2vtr|2vtr]], [[1h26|1h26]], [[1h07|1h07]], [[1e1x|1e1x]], [[1y8y|1y8y]]</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1pye|1pye]], [[1h08|1h08]], [[2vth|2vth]], [[2b53|2b53]], [[1v1k|1v1k]], [[1okv|1okv]], [[1h25|1h25]], [[1ke7|1ke7]], [[1pxk|1pxk]], [[2wih|2wih]], [[2bhh|2bhh]], [[2vta|2vta]], [[2uue|2uue]], [[1gz8|1gz8]], [[1e1v|1e1v]], [[1ol2|1ol2]], [[1h27|1h27]], [[1jsv|1jsv]], [[2b52|2b52]], [[2wha|2wha]], [[1ke5|1ke5]], [[1fin|1fin]], [[2c5o|2c5o]], [[2c68|2c68]], [[2vtt|2vtt]], [[1p2a|1p2a]], [[2c4g|2c4g]], [[2vtq|2vtq]], [[1h1q|1h1q]], [[1w0x|1w0x]], [[1pxo|1pxo]], [[2w05|2w05]], [[1ke9|1ke9]], [[2a0c|2a0c]], [[1hck|1hck]], [[1jsu|1jsu]], [[1pxn|1pxn]], [[2uze|2uze]], [[2v0d|2v0d]], [[2vtm|2vtm]], [[1oiq|1oiq]], [[1h1r|1h1r]], [[2iw8|2iw8]], [[1pw2|1pw2]], [[1hcl|1hcl]], [[1gih|1gih]], [[2whb|2whb]], [[2w06|2w06]], [[2vtn|2vtn]], [[1jst|1jst]], [[1oiu|1oiu]], [[1pxm|1pxm]], [[1b38|1b38]], [[1fq1|1fq1]], [[1vyw|1vyw]], [[1h1p|1h1p]], [[2wma|2wma]], [[2c69|2c69]], [[1urc|1urc]], [[1pxi|1pxi]], [[2c6i|2c6i]], [[1ykr|1ykr]], [[2w17|2w17]], [[2c6k|2c6k]], [[2c5y|2c5y]], [[2uzd|2uzd]], [[1wcc|1wcc]], [[2j9m|2j9m]], [[1vyz|1vyz]], [[2vti|2vti]], [[1jvp|1jvp]], [[1w98|1w98]], [[2wip|2wip]], [[1pkd|1pkd]], [[1p5e|1p5e]], [[2vts|2vts]], [[2c5p|2c5p]], [[2uzn|2uzn]], [[2b54|2b54]], [[1ke6|1ke6]], [[1pxj|1pxj]], [[2uzl|2uzl]], [[2cci|2cci]], [[2g9x|2g9x]], [[2bkz|2bkz]], [[1y91|1y91]], [[2iw6|2iw6]], [[1gij|1gij]], [[1r78|1r78]], [[1h0v|1h0v]], [[2iw9|2iw9]], [[1w8c|1w8c]], [[1buh|1buh]], [[2bpm|2bpm]], [[2bts|2bts]], [[1fvv|1fvv]], [[1okw|1okw]], [[2a4l|2a4l]], [[2vtp|2vtp]], [[2c6t|2c6t]], [[1fvt|1fvt]], [[1qmz|1qmz]], [[2w1h|2w1h]], [[2vu3|2vu3]], [[2b55|2b55]], [[1ogu|1ogu]], [[1pf8|1pf8]], [[1h1s|1h1s]], [[2c5v|2c5v]], [[2jgz|2jgz]], [[2bhe|2bhe]], [[1urw|1urw]], [[1oiy|1oiy]], [[2c6l|2c6l]], [[1f5q|1f5q]], [[2c6o|2c6o]], [[2vtl|2vtl]], [[1ol1|1ol1]], [[1h01|1h01]], [[2uzb|2uzb]], [[2wfy|2wfy]], [[1oir|1oir]], [[1oi9|1oi9]], [[2vtj|2vtj]], [[2cjm|2cjm]], [[2c5n|2c5n]], [[2wev|2wev]], [[2c5x|2c5x]], [[2c6m|2c6m]], [[1oit|1oit]], [[1gy3|1gy3]], [[2v22|2v22]], [[2vv9|2vv9]], [[1di8|1di8]], [[1gii|1gii]], [[2wmb|2wmb]], [[1e9h|1e9h]], [[1dm2|1dm2]], [[2vto|2vto]], [[1h24|1h24]], [[2uzo|2uzo]], [[2exm|2exm]], [[1h00|1h00]], [[2clx|2clx]], [[1pxp|1pxp]], [[2cch|2cch]], [[2btr|2btr]], [[1b39|1b39]], [[1aq1|1aq1]], [[1h0w|1h0w]], [[1g5s|1g5s]], [[1ckp|1ckp]], [[1pxl|1pxl]], [[1h28|1h28]], [[1ke8|1ke8]], [[2vtr|2vtr]], [[1h26|1h26]], [[1h07|1h07]], [[1e1x|1e1x]], [[1y8y|1y8y]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wpa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpa OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wpa RCSB], [http://www.ebi.ac.uk/pdbsum/2wpa PDBsum]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wpa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpa OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wpa RCSB], [http://www.ebi.ac.uk/pdbsum/2wpa PDBsum]</span></td></tr>
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<table>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/CCNA2_HUMAN CCNA2_HUMAN]] Essential for the control of the cell cycle at the G1/S (start) and the G2/M (mitosis) transitions.
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Non-specific serine/threonine protein kinase]]
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[[Category: Albanese, C.]]
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[[Category: Albanese, C]]
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[[Category: Alzani, R.]]
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[[Category: Alzani, R]]
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[[Category: Amici, R.]]
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[[Category: Amici, R]]
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[[Category: Avanzi, N.]]
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[[Category: Avanzi, N]]
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[[Category: Ballinari, D.]]
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[[Category: Ballinari, D]]
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[[Category: Bischoff, J.]]
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[[Category: Bischoff, J]]
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[[Category: Borghi, D.]]
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[[Category: Borghi, D]]
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[[Category: Brasca, M G.]]
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[[Category: Brasca, M G]]
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[[Category: Casale, E.]]
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[[Category: Casale, E]]
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[[Category: Ciomei, M.]]
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[[Category: Ciomei, M]]
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[[Category: Croci, V.]]
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[[Category: Croci, V]]
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[[Category: Fiorentini, F.]]
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[[Category: Fiorentini, F]]
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[[Category: Isacchi, A.]]
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[[Category: Isacchi, A]]
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[[Category: Mercurio, C.]]
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[[Category: Mercurio, C]]
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[[Category: Nesi, M.]]
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[[Category: Nesi, M]]
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[[Category: Orsini, P.]]
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[[Category: Orsini, P]]
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[[Category: Pastori, W.]]
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[[Category: Pastori, W]]
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[[Category: Pesenti, E.]]
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[[Category: Pesenti, E]]
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[[Category: Pevarello, P.]]
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[[Category: Pevarello, P]]
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[[Category: Roussel, P.]]
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[[Category: Roussel, P]]
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[[Category: Varasi, M.]]
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[[Category: Varasi, M]]
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[[Category: Volpi, D.]]
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[[Category: Volpi, D]]
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[[Category: Vulpetti, A.]]
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[[Category: Vulpetti, A]]
[[Category: Atp-binding]]
[[Category: Atp-binding]]
[[Category: Cell cycle]]
[[Category: Cell cycle]]

Revision as of 19:32, 24 December 2014

OPTIMISATION OF 6,6-DIMETHYL PYRROLO 3,4-C PYRAZOLES: IDENTIFICATION OF PHA-793887, A POTENT CDK INHIBITOR SUITABLE FOR INTRAVENOUS DOSING

2wpa, resolution 2.51Å

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