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2wip

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 <StructureSection load='2wip' size='340' side='right' caption='[[2wip]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[2wip]] 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=2WIP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WIP FirstGlance]. <br>
+<table><tr><td colspan='2'>[[2wip]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WIP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WIP FirstGlance]. <br>
 </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P49:1-METHYL-8-(PHENYLAMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXYLIC+ACID'>P49</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
 <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1h08|1h08]], [[1pye|1pye]], [[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]], [[2wha|2wha]], [[2b52|2b52]], [[1ke5|1ke5]], [[1fin|1fin]], [[2c5o|2c5o]], [[2c68|2c68]], [[2vtt|2vtt]], [[1p2a|1p2a]], [[2vtq|2vtq]], [[2c4g|2c4g]], [[1w0x|1w0x]], [[1h1q|1h1q]], [[2w05|2w05]], [[1pxo|1pxo]], [[1ke9|1ke9]], [[1hck|1hck]], [[2a0c|2a0c]], [[1jsu|1jsu]], [[1pxn|1pxn]], [[2uze|2uze]], [[2vtm|2vtm]], [[2v0d|2v0d]], [[1oiq|1oiq]], [[1h1r|1h1r]], [[2iw8|2iw8]], [[1hcl|1hcl]], [[1pw2|1pw2]], [[1gih|1gih]], [[2whb|2whb]], [[2vtn|2vtn]], [[2w06|2w06]], [[1jst|1jst]], [[1oiu|1oiu]], [[1b38|1b38]], [[1pxm|1pxm]], [[1fq1|1fq1]], [[1vyw|1vyw]], [[1h1p|1h1p]], [[2c69|2c69]], [[1urc|1urc]], [[1pxi|1pxi]], [[2c6i|2c6i]], [[1ykr|1ykr]], [[2w17|2w17]], [[2c5y|2c5y]], [[2uzd|2uzd]], [[2c6k|2c6k]], [[1wcc|1wcc]], [[2j9m|2j9m]], [[1vyz|1vyz]], [[2vti|2vti]], [[1jvp|1jvp]], [[1w98|1w98]], [[1pkd|1pkd]], [[1p5e|1p5e]], [[2vts|2vts]], [[2c5p|2c5p]], [[2uzn|2uzn]], [[2b54|2b54]], [[1ke6|1ke6]], [[1pxj|1pxj]], [[2uzl|2uzl]], [[2cci|2cci]], [[2bkz|2bkz]], [[2g9x|2g9x]], [[1y91|1y91]], [[2iw6|2iw6]], [[1gij|1gij]], [[1r78|1r78]], [[1h0v|1h0v]], [[2iw9|2iw9]], [[1w8c|1w8c]], [[1buh|1buh]], [[2bpm|2bpm]], [[2bts|2bts]], [[1fvv|1fvv]], [[1okw|1okw]], [[2vtp|2vtp]], [[2a4l|2a4l]], [[2c6t|2c6t]], [[1fvt|1fvt]], [[1qmz|1qmz]], [[2w1h|2w1h]], [[2vu3|2vu3]], [[1ogu|1ogu]], [[2b55|2b55]], [[1pf8|1pf8]], [[1h1s|1h1s]], [[2c5v|2c5v]], [[2jgz|2jgz]], [[2bhe|2bhe]], [[1urw|1urw]], [[1oiy|1oiy]], [[2c6l|2c6l]], [[1f5q|1f5q]], [[2c6o|2c6o]], [[2vtl|2vtl]], [[1ol1|1ol1]], [[2uzb|2uzb]], [[2wfy|2wfy]], [[1h01|1h01]], [[1oir|1oir]], [[1oi9|1oi9]], [[2vtj|2vtj]], [[2cjm|2cjm]], [[2wev|2wev]], [[2c5x|2c5x]], [[2c5n|2c5n]], [[2c6m|2c6m]], [[1oit|1oit]], [[1gy3|1gy3]], [[2v22|2v22]], [[1di8|1di8]], [[1gii|1gii]], [[2vv9|2vv9]], [[1e9h|1e9h]], [[2vto|2vto]], [[1dm2|1dm2]], [[2uzo|2uzo]], [[1h24|1h24]], [[2exm|2exm]], [[1h00|1h00]], [[2clx|2clx]], [[1pxp|1pxp]], [[2cch|2cch]], [[1b39|1b39]], [[2btr|2btr]], [[1aq1|1aq1]], [[1h0w|1h0w]], [[1g5s|1g5s]], [[1ckp|1ckp]], [[1pxl|1pxl]], [[1h28|1h28]], [[1ke8|1ke8]], [[2vtr|2vtr]], [[1h26|1h26]], [[1e1x|1e1x]], [[1h07|1h07]], [[1y8y|1y8y]]</td></tr>
-<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>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1, 2.7.11.8, 2.7.11.9, 2.7.11.10, 2.7.11.11, 2.7.11.12, 2.7.11.13, 2.7.11.21, 2.7.11.22, 2.7.11.24, 2.7.11.25, 2.7.11.30 and 2.7.12.1 2.7.11.1, 2.7.11.8, 2.7.11.9, 2.7.11.10, 2.7.11.11, 2.7.11.12, 2.7.11.13, 2.7.11.21, 2.7.11.22, 2.7.11.24, 2.7.11.25, 2.7.11.30 and 2.7.12.1] </span></td></tr>
-<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=2wip FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wip OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wip RCSB], [http://www.ebi.ac.uk/pdbsum/2wip PDBsum]</span></td></tr>
+<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=2wip FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wip OCA], [http://pdbe.org/2wip PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wip RCSB], [http://www.ebi.ac.uk/pdbsum/2wip PDBsum]</span></td></tr>
 </table>
 == Function ==
@@ Line 18: / Line 18: @@
     <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/chain_selection.php?pdb_ID=2ata ConSurf].
+</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=2wip ConSurf].
 <div style="clear:both"></div>
 <div style="background-color:#fffaf0;">
@@ Line 28: / Line 28: @@
 From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 </div>
+<div class="pdbe-citations 2wip" style="background-color:#fffaf0;"></div>
 ==See Also==
-*[[Cell division protein kinase 2|Cell division protein kinase 2]]
 *[[Cyclin|Cyclin]]
+*[[Cyclin-dependent kinase|Cyclin-dependent kinase]]
 == References ==
 <references/>
 __TOC__
 </StructureSection>
-[[Category: Homo sapiens]]
+[[Category: Human]]
-[[Category: Non-specific serine/threonine protein kinase]]
+[[Category: Transferase]]
 [[Category: Amboldi, N]]
 [[Category: Ballinari, D]]
@@ Line 74: / Line 75: @@
 [[Category: Serine/threonine-protein 2 kinase]]
 [[Category: Serine/threonine-protein kinase]]
-[[Category: Transferase]]

Revision as of 19:16, 8 February 2016

STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID

spinqualitylabelsall models

2wip, resolution 2.80Å

Show:Asymmetric Unit Biological Assembly

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Structural highlights

2wip is a 4 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	,
Related:	1h08, 1pye, 2vth, 2b53, 1v1k, 1okv, 1h25, 1ke7, 1pxk, 2wih, 2bhh, 2vta, 2uue, 1gz8, 1e1v, 1ol2, 1h27, 1jsv, 2wha, 2b52, 1ke5, 1fin, 2c5o, 2c68, 2vtt, 1p2a, 2vtq, 2c4g, 1w0x, 1h1q, 2w05, 1pxo, 1ke9, 1hck, 2a0c, 1jsu, 1pxn, 2uze, 2vtm, 2v0d, 1oiq, 1h1r, 2iw8, 1hcl, 1pw2, 1gih, 2whb, 2vtn, 2w06, 1jst, 1oiu, 1b38, 1pxm, 1fq1, 1vyw, 1h1p, 2c69, 1urc, 1pxi, 2c6i, 1ykr, 2w17, 2c5y, 2uzd, 2c6k, 1wcc, 2j9m, 1vyz, 2vti, 1jvp, 1w98, 1pkd, 1p5e, 2vts, 2c5p, 2uzn, 2b54, 1ke6, 1pxj, 2uzl, 2cci, 2bkz, 2g9x, 1y91, 2iw6, 1gij, 1r78, 1h0v, 2iw9, 1w8c, 1buh, 2bpm, 2bts, 1fvv, 1okw, 2vtp, 2a4l, 2c6t, 1fvt, 1qmz, 2w1h, 2vu3, 1ogu, 2b55, 1pf8, 1h1s, 2c5v, 2jgz, 2bhe, 1urw, 1oiy, 2c6l, 1f5q, 2c6o, 2vtl, 1ol1, 2uzb, 2wfy, 1h01, 1oir, 1oi9, 2vtj, 2cjm, 2wev, 2c5x, 2c5n, 2c6m, 1oit, 1gy3, 2v22, 1di8, 1gii, 2vv9, 1e9h, 2vto, 1dm2, 2uzo, 1h24, 2exm, 1h00, 2clx, 1pxp, 2cch, 1b39, 2btr, 1aq1, 1h0w, 1g5s, 1ckp, 1pxl, 1h28, 1ke8, 2vtr, 1h26, 1e1x, 1h07, 1y8y
Activity:	Transferase, with EC number 2.7.11.8, 2.7.11.9, 2.7.11.10, 2.7.11.11, 2.7.11.12, 2.7.11.13, 2.7.11.21, 2.7.11.22, 2.7.11.24, 2.7.11.25, 2.7.11.30 and 2.7.12.1 2.7.11.1, 2.7.11.8, 2.7.11.9, 2.7.11.10, 2.7.11.11, 2.7.11.12, 2.7.11.13, 2.7.11.21, 2.7.11.22, 2.7.11.24, 2.7.11.25, 2.7.11.30 and 2.7.12.1
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum

Function

[CCNA2_HUMAN] Essential for the control of the cell cycle at the G1/S (start) and the G2/M (mitosis) transitions.

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

The discovery of a novel class of inhibitors of cyclin dependent kinases (CDKs) is described. Starting from compound 1, showing good potency as inhibitor of CDKs but being poorly selective against a panel of serine-threonine and tyrosine kinases, new analogues were synthesized. Enhancement in selectivity, antiproliferative activity against A2780 human ovarian carcinoma cells, and optimization of the physical properties and pharmacokinetic profile led to the identification of highly potent and orally available compounds. Compound 28 (PHA-848125), which in the preclinical xenograft A2780 human ovarian carcinoma model showed good efficacy and was well tolerated upon repeated daily treatments, was identified as a drug candidate for further development. Compound 28 is currently undergoing phase I and phase II clinical trials.

Identification of N,1,4,4-Tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydr o-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.,Brasca MG, Amboldi N, Ballinari D, Cameron A, Casale E, Cervi G, Colombo M, Colotta F, Croci V, D'Alessio R, Fiorentini F, Isacchi A, Mercurio C, Moretti W, Panzeri A, Pastori W, Pevarello P, Quartieri F, Roletto F, Traquandi G, Vianello P, Vulpetti A, Ciomei M J Med Chem. 2009 Jul 15. PMID:19603809^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Brasca MG, Amboldi N, Ballinari D, Cameron A, Casale E, Cervi G, Colombo M, Colotta F, Croci V, D'Alessio R, Fiorentini F, Isacchi A, Mercurio C, Moretti W, Panzeri A, Pastori W, Pevarello P, Quartieri F, Roletto F, Traquandi G, Vianello P, Vulpetti A, Ciomei M. Identification of N,1,4,4-Tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydr o-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. J Med Chem. 2009 Jul 15. PMID:19603809 doi:10.1021/jm9006559

1 Structural highlights
2 Function
3 Evolutionary Conservation
4 Publication Abstract from PubMed
5 See Also
6 References

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2wip

From Proteopedia

Revision as of 19:16, 8 February 2016

STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

See Also

References

Contents

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