2vth - Revision history

OCA at 07:07, 1 May 2024

2024-05-01T07:07:43Z

←Older revision		Revision as of 07:07, 1 May 2024
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	<StructureSection load='2vth' size='340' side='right'caption='[[2vth]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2vth' size='340' side='right'caption='[[2vth]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2VTH FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2vth]] 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VTH FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>~~, ~~<scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-~~1~~-SULFONAMIDE'>LZ2</scene>~~</td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.9Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[1pye\|1pye]]~~, [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</~~div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [~~http~~://pdbe.org/2vth PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2vth PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2vth ProSAT]</span></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=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [https://pdbe.org/2vth PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [https://www.ebi.ac.uk/pdbsum/2vth PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vth ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CDK2_HUMAN CDK2_HUMAN]] Serine/threonine-protein kinase involved in the control of the cell cycle; essential for meiosis, but dispensable for mitosis. Phosphorylates CTNNB1, USP37, p53/TP53, NPM1, CDK7, RB1, BRCA2, MYC, NPAT, EZH2. Interacts with cyclins A, B1, B3, D, or E. Triggers duplication of centrosomes and DNA. Acts at the G1-S transition to promote the E2F transcriptional program and the initiation of DNA synthesis, and modulates G2 progression; controls the timing of entry into mitosis/meiosis by controlling the subsequent activation of cyclin B/CDK1 by phosphorylation, and coordinates the activation of cyclin B/CDK1 at the centrosome and in the nucleus. Crucial role in orchestrating a fine balance between cellular proliferation, cell death, and DNA repair in human embryonic stem cells (hESCs). Activity of CDK2 is maximal during S phase and G2; activated by interaction with cyclin E during the early stages of DNA synthesis to permit G1-S transition, and subsequently activated by cyclin A2 (cyclin A1 in germ cells) during the late stages of DNA replication to drive the transition from S phase to mitosis, the G2 phase. EZH2 phosphorylation promotes H3K27me3 maintenance and epigenetic gene silencing. Phosphorylates CABLES1 (By similarity). Cyclin E/CDK2 prevents oxidative stress-mediated Ras-induced senescence by phosphorylating MYC. Involved in G1-S phase DNA damage checkpoint that prevents cells with damaged DNA from initiating mitosis; regulates homologous recombination-dependent repair by phosphorylating BRCA2, this phosphorylation is low in S phase when recombination is active, but increases as cells progress towards mitosis. In response to DNA damage, double-strand break repair by homologous recombination a reduction of CDK2-mediated BRCA2 phosphorylation. Phosphorylation of RB1 disturbs its interaction with E2F1. NPM1 phosphorylation by cyclin E/CDK2 promotes its dissociates from unduplicated centrosomes, thus initiating centrosome duplication. Cyclin E/CDK2-mediated phosphorylation of NPAT at G1-S transition and until prophase stimulates the NPAT-mediated activation of histone gene transcription during S phase. Required for vitamin D-mediated growth inhibition by being itself inactivated. Involved in the nitric oxide- (NO) mediated signaling in a nitrosylation/activation-dependent manner. USP37 is activated by phosphorylation and thus triggers G1-S transition. CTNNB1 phosphorylation regulates insulin internalization.<ref>PMID:10499802</ref> <ref>PMID:11051553</ref> <ref>PMID:10995386</ref> <ref>PMID:10995387</ref> <ref>PMID:10884347</ref> <ref>PMID:11113184</ref> <ref>PMID:15800615</ref> <ref>PMID:18372919</ref> <ref>PMID:20147522</ref> <ref>PMID:20079829</ref> <ref>PMID:20935635</ref> <ref>PMID:20195506</ref> <ref>PMID:19966300</ref> <ref>PMID:21262353</ref> <ref>PMID:21596315</ref> <ref>PMID:21319273</ref> <ref>PMID:17495531</ref>	+	[https://www.uniprot.org/uniprot/CDK2_HUMAN CDK2_HUMAN] Serine/threonine-protein kinase involved in the control of the cell cycle; essential for meiosis, but dispensable for mitosis. Phosphorylates CTNNB1, USP37, p53/TP53, NPM1, CDK7, RB1, BRCA2, MYC, NPAT, EZH2. Interacts with cyclins A, B1, B3, D, or E. Triggers duplication of centrosomes and DNA. Acts at the G1-S transition to promote the E2F transcriptional program and the initiation of DNA synthesis, and modulates G2 progression; controls the timing of entry into mitosis/meiosis by controlling the subsequent activation of cyclin B/CDK1 by phosphorylation, and coordinates the activation of cyclin B/CDK1 at the centrosome and in the nucleus. Crucial role in orchestrating a fine balance between cellular proliferation, cell death, and DNA repair in human embryonic stem cells (hESCs). Activity of CDK2 is maximal during S phase and G2; activated by interaction with cyclin E during the early stages of DNA synthesis to permit G1-S transition, and subsequently activated by cyclin A2 (cyclin A1 in germ cells) during the late stages of DNA replication to drive the transition from S phase to mitosis, the G2 phase. EZH2 phosphorylation promotes H3K27me3 maintenance and epigenetic gene silencing. Phosphorylates CABLES1 (By similarity). Cyclin E/CDK2 prevents oxidative stress-mediated Ras-induced senescence by phosphorylating MYC. Involved in G1-S phase DNA damage checkpoint that prevents cells with damaged DNA from initiating mitosis; regulates homologous recombination-dependent repair by phosphorylating BRCA2, this phosphorylation is low in S phase when recombination is active, but increases as cells progress towards mitosis. In response to DNA damage, double-strand break repair by homologous recombination a reduction of CDK2-mediated BRCA2 phosphorylation. Phosphorylation of RB1 disturbs its interaction with E2F1. NPM1 phosphorylation by cyclin E/CDK2 promotes its dissociates from unduplicated centrosomes, thus initiating centrosome duplication. Cyclin E/CDK2-mediated phosphorylation of NPAT at G1-S transition and until prophase stimulates the NPAT-mediated activation of histone gene transcription during S phase. Required for vitamin D-mediated growth inhibition by being itself inactivated. Involved in the nitric oxide- (NO) mediated signaling in a nitrosylation/activation-dependent manner. USP37 is activated by phosphorylation and thus triggers G1-S transition. CTNNB1 phosphorylation regulates insulin internalization.<ref>PMID:10499802</ref> <ref>PMID:11051553</ref> <ref>PMID:10995386</ref> <ref>PMID:10995387</ref> <ref>PMID:10884347</ref> <ref>PMID:11113184</ref> <ref>PMID:15800615</ref> <ref>PMID:18372919</ref> <ref>PMID:20147522</ref> <ref>PMID:20079829</ref> <ref>PMID:20935635</ref> <ref>PMID:20195506</ref> <ref>PMID:19966300</ref> <ref>PMID:21262353</ref> <ref>PMID:21596315</ref> <ref>PMID:21319273</ref> <ref>PMID:17495531</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 20:		Line 20:
	</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=2vth 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=2vth ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The application of fragment-based screening techniques to cyclin dependent kinase 2 (CDK2) identified multiple (>30) efficient, synthetically tractable small molecule hits for further optimization. Structure-based design approaches led to the identification of multiple lead series, which retained the key interactions of the initial binding fragments and additionally explored other areas of the ATP binding site. The majority of this paper details the structure-guided optimization of indazole (6) using information gained from multiple ligand-CDK2 cocrystal structures. Identification of key binding features for this class of compounds resulted in a series of molecules with low nM affinity for CDK2. Optimisation of cellular activity and characterization of pharmacokinetic properties led to the identification of 33 (AT7519), which is currently being evaluated in clinical trials for the treatment of human cancers.
-
-	Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design.,Wyatt PG, Woodhead AJ, Berdini V, Boulstridge JA, Carr MG, Cross DM, Davis DJ, Devine LA, Early TR, Feltell RE, Lewis EJ, McMenamin RL, Navarro EF, O'Brien MA, O'Reilly M, Reule M, Saxty G, Seavers LC, Smith DM, Squires MS, Trewartha G, Walker MT, Woolford AJ J Med Chem. 2008 Aug 28;51(16):4986-99. Epub 2008 Jul 26. PMID:18656911<ref>PMID:18656911</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 2vth" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Berdini, V]]	+	[[Category: Berdini V]]
-	[[Category: Boulstridge~~, J A]]~~	+	[[Category: Boulstridge JA]]
-	~~[[Category: Brien, M A.O~~]]	+	[[Category: Carr MG]]
-	[[Category: Carr~~, M G~~]]	+	[[Category: Cross DM]]
-	[[Category: Cross~~, D M~~]]	+	[[Category: Danillon D]]
-	[[Category: Danillon, D]]	+	[[Category: Davis DJ]]
-	[[Category: Davis~~, D J~~]]	+	[[Category: Devine LA]]
-	[[Category: Devine~~, L A~~]]	+	[[Category: Early TR]]
-	[[Category: Early~~, T R~~]]	+	[[Category: Feltell RE]]
-	[[Category: Feltell~~, R E~~]]	+	[[Category: Lewis EJ]]
-	[[Category: Lewis~~, E J~~]]	+	[[Category: McMenamin RL]]
-	[[Category: McMenamin~~, R L~~]]	+	[[Category: Navarro EF]]
-	[[Category: Navarro~~, E F~~]]	+	[[Category: O'Brien MA]]
-	[[Category: Reilly, M O]]	+	[[Category: O'Reilly M]]
-	[[Category: Reule, M]]	+	[[Category: Reule M]]
-	[[Category: Saxty, G]]	+	[[Category: Saxty G]]
-	[[Category: Seavers~~, L C.A~~]]	+	[[Category: Seavers LCA]]
-	[[Category: Smith, D]]	+	[[Category: Smith D]]
-	[[Category: Squires~~, M S~~]]	+	[[Category: Squires MS]]
-	[[Category: Trewartha, G]]	+	[[Category: Trewartha G]]
-	[[Category: Walker~~, M T~~]]	+	[[Category: Walker MT]]
-	[[Category: Woodhead~~, A J~~]]	+	[[Category: Woodhead AJ]]
-	[[Category: Woolford~~, A J~~]]	+	[[Category: Woolford AJ]]
-	[[Category: Wyatt~~, P G]]~~	+	[[Category: Wyatt PG]]
-	~~[[Category: Cell cycle]]~~	+
-	~~[[Category: Mitosis]]~~	+
-	~~[[Category: Serine/threonine protein kinase]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 04:59, 19 November 2020

2020-11-19T04:59:17Z

←Older revision		Revision as of 04:59, 19 November 2020
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	<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2VTH FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2VTH FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</div></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://pdbe.org/2vth PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vth ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://pdbe.org/2vth PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vth ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:30, 25 June 2020

2020-06-25T08:30:27Z

←Older revision		Revision as of 08:30, 25 June 2020
Line 1:		Line 1:

	==Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design==		==Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design==
-	<StructureSection load='2vth' size='340' side='right' caption='[[2vth]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='2vth' size='340' side='right'caption='[[2vth]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2VTH FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2VTH FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</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=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://pdbe.org/2vth PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vth ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://pdbe.org/2vth PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vth ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 31:		Line 31:

	==See Also==		==See Also==
-	*[[Cyclin-dependent kinase\|Cyclin-dependent kinase]]	+	*[[Cyclin-dependent kinase 3D structures\|Cyclin-dependent kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 37:		Line 37:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Berdini, V]]		[[Category: Berdini, V]]
	[[Category: Boulstridge, J A]]		[[Category: Boulstridge, J A]]

OCA at 20:37, 19 September 2018

2018-09-19T20:37:28Z

←Older revision		Revision as of 20:37, 19 September 2018
Line 1:		Line 1:
-	==~~IDENTIFICATION OF~~ N-(4-~~PIPERIDINYL~~)-4-(2,6-~~DICHLOROBENZOYLAMINO~~)-1H-~~PYRAZOLE~~-3-~~CARBOXAMIDE~~ (AT7519), ~~A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT~~-~~BASED~~ X-~~RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN~~==	+
		+	==Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design==
	<StructureSection load='2vth' size='340' side='right' caption='[[2vth]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2vth' size='340' side='right' caption='[[2vth]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</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=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://pdbe.org/2vth PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth 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=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://pdbe.org/2vth PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vth ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 13:		Line 14:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vt/2vth_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vt/2vth_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 47:		Line 48:
	[[Category: Feltell, R E]]		[[Category: Feltell, R E]]
	[[Category: Lewis, E J]]		[[Category: Lewis, E J]]
-	[[Category: ~~Mcmenamin~~, R L]]	+	[[Category: McMenamin, R L]]
	[[Category: Navarro, E F]]		[[Category: Navarro, E F]]
	[[Category: Reilly, M O]]		[[Category: Reilly, M O]]

OCA at 07:23, 9 February 2016

2016-02-09T07:23:21Z

←Older revision		Revision as of 07:23, 9 February 2016
Line 2:		Line 2:
	<StructureSection load='2vth' size='340' side='right' caption='[[2vth]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2vth' size='340' side='right' caption='[[2vth]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VTH FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VTH FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</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=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth 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=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://pdbe.org/2vth PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 17:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</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=2vth ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 27:		Line 27:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 2vth" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
-	*[[~~Cell division protein~~ kinase 2\|~~Cell division protein~~ kinase 2]]	+	*[[Cyclin-dependent kinase\|Cyclin-dependent kinase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Berdini, V]]		[[Category: Berdini, V]]
	[[Category: Boulstridge, J A]]		[[Category: Boulstridge, J A]]

OCA at 05:20, 25 December 2014

2014-12-25T05:20:00Z

←Older revision		Revision as of 05:20, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VTH FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VTH FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</td></tr>
-	<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=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth 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=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CDK2_HUMAN CDK2_HUMAN]] Serine/threonine-protein kinase involved in the control of the cell cycle; essential for meiosis, but dispensable for mitosis. Phosphorylates CTNNB1, USP37, p53/TP53, NPM1, CDK7, RB1, BRCA2, MYC, NPAT, EZH2. Interacts with cyclins A, B1, B3, D, or E. Triggers duplication of centrosomes and DNA. Acts at the G1-S transition to promote the E2F transcriptional program and the initiation of DNA synthesis, and modulates G2 progression; controls the timing of entry into mitosis/meiosis by controlling the subsequent activation of cyclin B/CDK1 by phosphorylation, and coordinates the activation of cyclin B/CDK1 at the centrosome and in the nucleus. Crucial role in orchestrating a fine balance between cellular proliferation, cell death, and DNA repair in human embryonic stem cells (hESCs). Activity of CDK2 is maximal during S phase and G2; activated by interaction with cyclin E during the early stages of DNA synthesis to permit G1-S transition, and subsequently activated by cyclin A2 (cyclin A1 in germ cells) during the late stages of DNA replication to drive the transition from S phase to mitosis, the G2 phase. EZH2 phosphorylation promotes H3K27me3 maintenance and epigenetic gene silencing. Phosphorylates CABLES1 (By similarity). Cyclin E/CDK2 prevents oxidative stress-mediated Ras-induced senescence by phosphorylating MYC. Involved in G1-S phase DNA damage checkpoint that prevents cells with damaged DNA from initiating mitosis; regulates homologous recombination-dependent repair by phosphorylating BRCA2, this phosphorylation is low in S phase when recombination is active, but increases as cells progress towards mitosis. In response to DNA damage, double-strand break repair by homologous recombination a reduction of CDK2-mediated BRCA2 phosphorylation. Phosphorylation of RB1 disturbs its interaction with E2F1. NPM1 phosphorylation by cyclin E/CDK2 promotes its dissociates from unduplicated centrosomes, thus initiating centrosome duplication. Cyclin E/CDK2-mediated phosphorylation of NPAT at G1-S transition and until prophase stimulates the NPAT-mediated activation of histone gene transcription during S phase. Required for vitamin D-mediated growth inhibition by being itself inactivated. Involved in the nitric oxide- (NO) mediated signaling in a nitrosylation/activation-dependent manner. USP37 is activated by phosphorylation and thus triggers G1-S transition. CTNNB1 phosphorylation regulates insulin internalization.<ref>PMID:10499802</ref> <ref>PMID:11051553</ref> <ref>PMID:10995386</ref> <ref>PMID:10995387</ref> <ref>PMID:10884347</ref> <ref>PMID:11113184</ref> <ref>PMID:15800615</ref> <ref>PMID:18372919</ref> <ref>PMID:20147522</ref> <ref>PMID:20079829</ref> <ref>PMID:20935635</ref> <ref>PMID:20195506</ref> <ref>PMID:19966300</ref> <ref>PMID:21262353</ref> <ref>PMID:21596315</ref> <ref>PMID:21319273</ref> <ref>PMID:17495531</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Berdini, V.]]	+	[[Category: Berdini, V]]
-	[[Category: Boulstridge, J A.]]	+	[[Category: Boulstridge, J A]]
-	[[Category: Brien, M A.O.]]	+	[[Category: Brien, M A.O]]
-	[[Category: Carr, M G.]]	+	[[Category: Carr, M G]]
-	[[Category: Cross, D M.]]	+	[[Category: Cross, D M]]
-	[[Category: Danillon, D.]]	+	[[Category: Danillon, D]]
-	[[Category: Davis, D J.]]	+	[[Category: Davis, D J]]
-	[[Category: Devine, L A.]]	+	[[Category: Devine, L A]]
-	[[Category: Early, T R.]]	+	[[Category: Early, T R]]
-	[[Category: Feltell, R E.]]	+	[[Category: Feltell, R E]]
-	[[Category: Lewis, E J.]]	+	[[Category: Lewis, E J]]
-	[[Category: Mcmenamin, R L.]]	+	[[Category: Mcmenamin, R L]]
-	[[Category: Navarro, E F.]]	+	[[Category: Navarro, E F]]
-	[[Category: Reilly, M O.]]	+	[[Category: Reilly, M O]]
-	[[Category: Reule, M.]]	+	[[Category: Reule, M]]
-	[[Category: Saxty, G.]]	+	[[Category: Saxty, G]]
-	[[Category: Seavers, L C.A.]]	+	[[Category: Seavers, L C.A]]
-	[[Category: Smith, D.]]	+	[[Category: Smith, D]]
-	[[Category: Squires, M S.]]	+	[[Category: Squires, M S]]
-	[[Category: Trewartha, G.]]	+	[[Category: Trewartha, G]]
-	[[Category: Walker, M T.]]	+	[[Category: Walker, M T]]
-	[[Category: Woodhead, A J.]]	+	[[Category: Woodhead, A J]]
-	[[Category: Woolford, A J.]]	+	[[Category: Woolford, A J]]
-	[[Category: Wyatt, P G.]]	+	[[Category: Wyatt, P G]]
	[[Category: Cell cycle]]		[[Category: Cell cycle]]
	[[Category: Mitosis]]		[[Category: Mitosis]]
	[[Category: Serine/threonine protein kinase]]		[[Category: Serine/threonine protein kinase]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 07:22, 29 September 2014

2014-09-29T07:22:15Z

←Older revision		Revision as of 07:22, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~2vth.~~png~~\|~~left~~\|200px]]	+	==IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN==
		+	<StructureSection load='2vth' size='340' side='right' caption='[[2vth]], [[Resolution\|resolution]] 1.90Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2vth]] is a 1 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=2VTH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VTH FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LZ2:5-HYDROXYNAPHTHALENE-1-SULFONAMIDE'>LZ2</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1pye\|1pye]], [[1h08\|1h08]], [[2b53\|2b53]], [[1v1k\|1v1k]], [[1okv\|1okv]], [[1ke7\|1ke7]], [[1h25\|1h25]], [[1pxk\|1pxk]], [[2bhh\|2bhh]], [[2vta\|2vta]], [[2uue\|2uue]], [[1e1v\|1e1v]], [[1gz8\|1gz8]], [[1ol2\|1ol2]], [[1h27\|1h27]], [[1jsv\|1jsv]], [[2b52\|2b52]], [[1ke5\|1ke5]], [[1fin\|1fin]], [[2c5o\|2c5o]], [[2c68\|2c68]], [[1p2a\|1p2a]], [[2c4g\|2c4g]], [[1w0x\|1w0x]], [[1h1q\|1h1q]], [[1pxo\|1pxo]], [[1ke9\|1ke9]], [[2a0c\|2a0c]], [[1hck\|1hck]], [[1jsu\|1jsu]], [[1pxn\|1pxn]], [[2uze\|2uze]], [[2v0d\|2v0d]], [[1oiq\|1oiq]], [[1h1r\|1h1r]], [[2iw8\|2iw8]], [[1hcl\|1hcl]], [[1gih\|1gih]], [[1pw2\|1pw2]], [[1jst\|1jst]], [[1oiu\|1oiu]], [[1pxm\|1pxm]], [[1b38\|1b38]], [[1fq1\|1fq1]], [[1vyw\|1vyw]], [[1h1p\|1h1p]], [[2c69\|2c69]], [[1urc\|1urc]], [[1pxi\|1pxi]], [[2c6i\|2c6i]], [[1ykr\|1ykr]], [[2c6k\|2c6k]], [[2uzd\|2uzd]], [[2c5y\|2c5y]], [[1wcc\|1wcc]], [[2j9m\|2j9m]], [[1vyz\|1vyz]], [[1jvp\|1jvp]], [[1w98\|1w98]], [[1pkd\|1pkd]], [[1p5e\|1p5e]], [[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]], [[2a4l\|2a4l]], [[2c6t\|2c6t]], [[1fvt\|1fvt]], [[1qmz\|1qmz]], [[1ogu\|1ogu]], [[2b55\|2b55]], [[1pf8\|1pf8]], [[1h1s\|1h1s]], [[2c5v\|2c5v]], [[2jgz\|2jgz]], [[2bhe\|2bhe]], [[1urw\|1urw]], [[1oiy\|1oiy]], [[2c6l\|2c6l]], [[1f5q\|1f5q]], [[2c6o\|2c6o]], [[1ol1\|1ol1]], [[2uzb\|2uzb]], [[1h01\|1h01]], [[1oir\|1oir]], [[1oi9\|1oi9]], [[2cjm\|2cjm]], [[2c5n\|2c5n]], [[2c5x\|2c5x]], [[2c6m\|2c6m]], [[1oit\|1oit]], [[2v22\|2v22]], [[1gy3\|1gy3]], [[1gii\|1gii]], [[1di8\|1di8]], [[1e9h\|1e9h]], [[1dm2\|1dm2]], [[2uzo\|2uzo]], [[1h24\|1h24]], [[1h00\|1h00]], [[2exm\|2exm]], [[2clx\|2clx]], [[1pxp\|1pxp]], [[2cch\|2cch]], [[1b39\|1b39]], [[2btr\|2btr]], [[1aq1\|1aq1]], [[1h0w\|1h0w]], [[1g5s\|1g5s]], [[1ckp\|1ckp]], [[1pxl\|1pxl]], [[1ke8\|1ke8]], [[1h28\|1h28]], [[1h26\|1h26]], [[1h07\|1h07]], [[1e1x\|1e1x]], [[1y8y\|1y8y]], [[2vtm\|2vtm]], [[2vtj\|2vtj]], [[2vtl\|2vtl]], [[2vtn\|2vtn]], [[2vto\|2vto]], [[2vtp\|2vtp]], [[2vtr\|2vtr]], [[2vts\|2vts]], [[2vtt\|2vtt]]</td></tr>
		+	<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=2vth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vth OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vth RCSB], [http://www.ebi.ac.uk/pdbsum/2vth PDBsum]</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/vt/2vth_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The application of fragment-based screening techniques to cyclin dependent kinase 2 (CDK2) identified multiple (>30) efficient, synthetically tractable small molecule hits for further optimization. Structure-based design approaches led to the identification of multiple lead series, which retained the key interactions of the initial binding fragments and additionally explored other areas of the ATP binding site. The majority of this paper details the structure-guided optimization of indazole (6) using information gained from multiple ligand-CDK2 cocrystal structures. Identification of key binding features for this class of compounds resulted in a series of molecules with low nM affinity for CDK2. Optimisation of cellular activity and characterization of pharmacokinetic properties led to the identification of 33 (AT7519), which is currently being evaluated in clinical trials for the treatment of human cancers.

-	~~{{STRUCTURE_2vth\| PDB=2vth \| SCENE= }}~~	+	Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design.,Wyatt PG, Woodhead AJ, Berdini V, Boulstridge JA, Carr MG, Cross DM, Davis DJ, Devine LA, Early TR, Feltell RE, Lewis EJ, McMenamin RL, Navarro EF, O'Brien MA, O'Reilly M, Reule M, Saxty G, Seavers LC, Smith DM, Squires MS, Trewartha G, Walker MT, Woolford AJ J Med Chem. 2008 Aug 28;51(16):4986-99. Epub 2008 Jul 26. PMID:18656911<ref>PMID:18656911</ref>

-	~~===IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2~~,~~6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_18656911}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2vth]] is~~ a ~~1 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=2VTH OCA].~~	+

	==See Also==		==See Also==
-	*[[Cell ~~Division Protein Kinase~~ 2\|Cell ~~Division Protein Kinase~~ 2]]	+	*[[Cell division protein kinase 2\|Cell division protein kinase 2]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:018656911<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Berdini, V.]]		[[Category: Berdini, V.]]

OCA at 13:06, 20 October 2012

2012-10-20T13:06:03Z

←Older revision		Revision as of 13:06, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2vth]] is a 1 chain structure ~~of [[Cell Division Protein Kinase 2]]~~ 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=2VTH OCA].	+	[[2vth]] is a 1 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=2VTH OCA].

	==See Also==		==See Also==

OCA: Protected "2vth" [edit=sysop:move=sysop]

2012-07-26T10:54:37Z

Protected "2vth" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:54, 26 July 2012

OCA at 10:54, 26 July 2012

2012-07-26T10:54:35Z

←Older revision		Revision as of 10:54, 26 July 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:2vth.png\|left\|200px]]		[[Image:2vth.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2vth", creates the "Structure Box" on the page.
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	{{STRUCTURE_2vth\| PDB=2vth \| SCENE= }}		{{STRUCTURE_2vth\| PDB=2vth \| SCENE= }}

	===IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN===		===IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_18656911}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 18656911 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_18656911}}		{{ABSTRACT_PUBMED_18656911}}

	==About this Structure==		==About this Structure==
-	~~2VTH~~ is a 1 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=2VTH OCA].	+	[[2vth]] is a 1 chain structure of [[Cell Division Protein Kinase 2]] 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=2VTH OCA].
		+
		+	==See Also==
		+	*[[Cell Division Protein Kinase 2\|Cell Division Protein Kinase 2]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~18656911~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:018656911</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Berdini, V.]]		[[Category: Berdini, V.]]
Line 53:		Line 44:
	[[Category: Serine/threonine protein kinase]]		[[Category: Serine/threonine protein kinase]]
	[[Category: Transferase]]		[[Category: Transferase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Nov 3 11:17:45 2010''