1oit - Revision history

OCA at 09:00, 9 May 2024

2024-05-09T09:00:50Z

← Older revision		Revision as of 09:00, 9 May 2024
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	</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=1oit 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=1oit ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			High-throughput screening identified the imidazo[1,2-a]pyridine and bisanilinopyrimidine series as inhibitors of the cyclin-dependent kinase CDK4. Comparison of their experimentally-determined binding modes and emerging structure-activity trends led to the development of potent and selective imidazo[1,2-a]pyridine inhibitors for CDK4 and in particular CDK2.

			Imidazo[1,2-a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hybridisation.,Anderson M, Beattie JF, Breault GA, Breed J, Byth KF, Culshaw JD, Ellston RP, Green S, Minshull CA, Norman RA, Pauptit RA, Stanway J, Thomas AP, Jewsbury PJ Bioorg Med Chem Lett. 2003 Sep 15;13(18):3021-6. PMID:12941325<ref>PMID:12941325</ref>

			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			<div class="pdbe-citations 1oit" style="background-color:#fffaf0;"></div>

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

OCA at 05:48, 17 April 2024

2024-04-17T05:48:06Z

← Older revision		Revision as of 05:48, 17 April 2024
Line 3:		Line 3:
	<StructureSection load='1oit' size='340' side='right'caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='1oit' size='340' side='right'caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1oit]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1OIT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1OIT FirstGlance]. <br>		<table><tr><td colspan='2'>[[1oit]] 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=1OIT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1OIT FirstGlance]. <br>
	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=HDT:4~~-[~~(4-IMIDAZO~~[~~1,2-A~~]~~PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO~~]~~BENZENESULFONAMIDE'>HDT</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]] 1.6Å</td></tr>
	<tr id='~~NonStdRes~~'><td class="sblockLbl"><b>[[~~Non-Standard_Residue~~\|~~NonStd Res~~:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene><~~/td></tr>~~		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=HDT:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE'>HDT</scene></td></tr>
	~~<tr id~~='~~related'><td class~~=~~"sblockLbl"><b>[[Related_structure\|Related~~:~~]]</b></td><td class="sblockDat"><div style='overflow: auto; max~~-~~height: 3em;'>~~[[~~1aq1\|1aq1]]~~, ~~[[1b38\|1b38~~]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</div></td></tr>
	~~<tr id='activity~~'>~~<td class="sblockLbl"><b>Activity:~~</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Transferase Transferase], with EC number [https://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'>[https://proteopedia.org/fgij/fg.htm?mol=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [https://pdbe.org/1oit PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [https://www.ebi.ac.uk/pdbsum/1oit PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1oit 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=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [https://pdbe.org/1oit PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [https://www.ebi.ac.uk/pdbsum/1oit PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1oit ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[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=1oit 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=1oit ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	~~<div style="background-color:#fffaf0;">~~
	~~== Publication Abstract from PubMed ==~~
	High-throughput screening identified the imidazo[1,2-a]pyridine and bisanilinopyrimidine series as inhibitors of the cyclin-dependent kinase CDK4. Comparison of their experimentally-determined binding modes and emerging structure-activity trends led to the development of potent and selective imidazo[1,2-a]pyridine inhibitors for CDK4 and in particular CDK2.

	Imidazo[1,2-a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hybridisation.,Anderson M, Beattie JF, Breault GA, Breed J, Byth KF, Culshaw JD, Ellston RP, Green S, Minshull CA, Norman RA, Pauptit RA, Stanway J, Thomas AP, Jewsbury PJ Bioorg Med Chem Lett. 2003 Sep 15;13(18):3021-6. PMID:12941325<ref>PMID:12941325</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 1oit" style="background-color:#fffaf0;"></div>~~

	==See Also==		==See Also==
Line 36:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Human~~]]		[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	~~[[Category: Transferase]]~~		[[Category: Beattie JF]]
	[[Category: Beattie~~, J F~~]]		[[Category: Breault GA]]
	[[Category: Breault~~, G A~~]]		[[Category: Byth KF]]
	[[Category: Byth~~, K F~~]]		[[Category: Culshaw JD]]
	[[Category: Culshaw~~, J D~~]]		[[Category: Ellston RPA]]
	[[Category: Ellston~~, R P.A~~]]		[[Category: Green S]]
	[[Category: Green, S]]		[[Category: Jewsbury PJ]]
	[[Category: Jewsbury~~, P J~~]]		[[Category: Minshull CA]]
	[[Category: Minshull~~, C A~~]]		[[Category: Norman RA]]
	[[Category: Norman~~, R A~~]]		[[Category: Pauptit RA]]
	[[Category: Pauptit~~, R A~~]]		[[Category: Thomas AP]]
	[[Category: Thomas~~, A P]]~~
	~~[[Category: Kinase]]~~
	~~[[Category: Protein kinase~~]]

OCA at 07:13, 25 August 2021

2021-08-25T07:13:53Z

← Older revision		Revision as of 07:13, 25 August 2021
Line 3:		Line 3:
	<StructureSection load='1oit' size='340' side='right'caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='1oit' size='340' side='right'caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1oit]] 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=1OIT OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1OIT FirstGlance]. <br>		<table><tr><td colspan='2'>[[1oit]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1OIT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1OIT FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HDT:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE'>HDT</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HDT:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE'>HDT</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1aq1\|1aq1]], [[1b38\|1b38]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1aq1\|1aq1]], [[1b38\|1b38]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</div></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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Transferase Transferase], with EC number [https://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=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [~~http~~://pdbe.org/1oit PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1oit PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1oit 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=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [https://pdbe.org/1oit PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [https://www.ebi.ac.uk/pdbsum/1oit PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1oit ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 18:09, 20 November 2019

2019-11-20T18:09:13Z

← Older revision		Revision as of 18:09, 20 November 2019
Line 1:		Line 1:

	==Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation==		==Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation==
	<StructureSection load='1oit' size='340' side='right' caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='1oit' size='340' side='right'caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1oit]] 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=1OIT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1OIT FirstGlance]. <br>		<table><tr><td colspan='2'>[[1oit]] 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=1OIT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1OIT FirstGlance]. <br>
Line 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 1oit" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1oit" style="background-color:#fffaf0;"></div>

			==See Also==
			*[[Cyclin-dependent kinase 3D structures\|Cyclin-dependent kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 34:		Line 37:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
			[[Category: Large Structures]]
	[[Category: Transferase]]		[[Category: Transferase]]
	[[Category: Beattie, J F]]		[[Category: Beattie, J F]]

OCA at 06:59, 7 February 2018

2018-02-07T06:59:22Z

← Older revision		Revision as of 06:59, 7 February 2018
Line 1:		Line 1:
	==~~IMIDAZOPYRIDINES~~: ~~A POTENT AND SELECTIVE CLASS OF CYCLIN~~-~~DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE~~-~~BASED HYBRIDISATION~~==
			==Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation==
	<StructureSection load='1oit' size='340' side='right' caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='1oit' size='340' side='right' caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 7:		Line 8:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1aq1\|1aq1]], [[1b38\|1b38]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1aq1\|1aq1]], [[1b38\|1b38]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</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='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=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [http://pdbe.org/1oit PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [http://www.ebi.ac.uk/pdbsum/1oit 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=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [http://pdbe.org/1oit PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [http://www.ebi.ac.uk/pdbsum/1oit PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1oit ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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/oi/1oit_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/oi/1oit_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 28:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 1oit" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1oit" style="background-color:#fffaf0;"></div>

	~~==See Also==~~
	*[[Cyclin-dependent kinase\|Cyclin-dependent kinase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 02:25, 10 February 2016

2016-02-10T02:25:18Z

← Older revision		Revision as of 02:25, 10 February 2016
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=1oit ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 30:		Line 30:

	==See Also==		==See Also==
	*[[~~Cell division protein~~ kinase\|~~Cell division protein~~ kinase]]		*[[Cyclin-dependent kinase\|Cyclin-dependent kinase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 04:27, 11 September 2015

2015-09-11T04:27:32Z

← Older revision		Revision as of 04:27, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='1oit' size='340' side='right' caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='1oit' size='340' side='right' caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1oit]] 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=1OIT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1OIT FirstGlance]. <br>		<table><tr><td colspan='2'>[[1oit]] 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=1OIT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1OIT FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HDT:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE'>HDT</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HDT:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE'>HDT</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1aq1\|1aq1]], [[1b38\|1b38]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1aq1\|1aq1]], [[1b38\|1b38]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</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=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [http://www.ebi.ac.uk/pdbsum/1oit 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=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [http://pdbe.org/1oit PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [http://www.ebi.ac.uk/pdbsum/1oit PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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 1oit" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Cell division protein kinase 2\|Cell division protein kinase 2]]		*[[Cell division protein kinase\|Cell division protein kinase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Homo sapiens~~]]		[[Category: Human]]
	[[Category: ~~Non-specific serine/threonine protein kinase~~]]		[[Category: Transferase]]
	[[Category: Beattie, J F]]		[[Category: Beattie, J F]]
	[[Category: Breault, G A]]		[[Category: Breault, G A]]

OCA at 06:34, 6 January 2015

2015-01-06T06:34:12Z

← Older revision		Revision as of 06:34, 6 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1oit]] 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=1OIT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1OIT FirstGlance]. <br>		<table><tr><td colspan='2'>[[1oit]] 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=1OIT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1OIT FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HDT:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE'>HDT</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HDT:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE'>HDT</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1aq1\|1aq1]], [[1b38\|1b38]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1aq1\|1aq1]], [[1b38\|1b38]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</td></tr>
	<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>		<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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [http://www.ebi.ac.uk/pdbsum/1oit 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=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [http://www.ebi.ac.uk/pdbsum/1oit PDBsum]</span></td></tr>
	<table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 36:		Line 36:
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
	[[Category: Beattie, J F.]]		[[Category: Beattie, J F]]
	[[Category: Breault, G A.]]		[[Category: Breault, G A]]
	[[Category: Byth, K F.]]		[[Category: Byth, K F]]
	[[Category: Culshaw, J D.]]		[[Category: Culshaw, J D]]
	[[Category: Ellston, R P.A.]]		[[Category: Ellston, R P.A]]
	[[Category: Green, S.]]		[[Category: Green, S]]
	[[Category: Jewsbury, P J.]]		[[Category: Jewsbury, P J]]
	[[Category: Minshull, C A.]]		[[Category: Minshull, C A]]
	[[Category: Norman, R A.]]		[[Category: Norman, R A]]
	[[Category: Pauptit, R A.]]		[[Category: Pauptit, R A]]
	[[Category: Thomas, A P.]]		[[Category: Thomas, A P]]
	[[Category: Kinase]]		[[Category: Kinase]]
	[[Category: Protein kinase]]		[[Category: Protein kinase]]

OCA at 13:03, 28 September 2014

2014-09-28T13:03:01Z

← Older revision		Revision as of 13:03, 28 September 2014
Line 1:		Line 1:
	[[Image:~~1oit~~.~~png~~\|~~left~~\|~~200px~~]]		==IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION==
			<StructureSection load='1oit' size='340' side='right' caption='[[1oit]], [[Resolution\|resolution]] 1.60Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[1oit]] 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=1OIT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1OIT FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HDT:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE'>HDT</scene><br>
			<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1aq1\|1aq1]], [[1b38\|1b38]], [[1b39\|1b39]], [[1buh\|1buh]], [[1ckp\|1ckp]], [[1di8\|1di8]], [[1dm2\|1dm2]], [[1e1v\|1e1v]], [[1e1x\|1e1x]], [[1e9h\|1e9h]], [[1f5q\|1f5q]], [[1fin\|1fin]], [[1fq1\|1fq1]], [[1fvt\|1fvt]], [[1fvv\|1fvv]], [[1g5s\|1g5s]], [[1gih\|1gih]], [[1gii\|1gii]], [[1gij\|1gij]], [[1gy3\|1gy3]], [[1gz8\|1gz8]], [[1h00\|1h00]], [[1h01\|1h01]], [[1h06\|1h06]], [[1h07\|1h07]], [[1h08\|1h08]], [[1h0u\|1h0u]], [[1h0v\|1h0v]], [[1h0w\|1h0w]], [[1h1p\|1h1p]], [[1h1q\|1h1q]], [[1h1r\|1h1r]], [[1h1s\|1h1s]], [[1h24\|1h24]], [[1h25\|1h25]], [[1h26\|1h26]], [[1h27\|1h27]], [[1h28\|1h28]], [[1hck\|1hck]], [[1hcl\|1hcl]], [[1jst\|1jst]], [[1jsu\|1jsu]], [[1jsv\|1jsv]], [[1jvp\|1jvp]], [[1ke5\|1ke5]], [[1ke6\|1ke6]], [[1ke7\|1ke7]], [[1ke8\|1ke8]], [[1ke9\|1ke9]], [[1ogu\|1ogu]], [[1oi9\|1oi9]], [[1oiq\|1oiq]], [[1oir\|1oir]], [[1oiu\|1oiu]], [[1oiy\|1oiy]], [[1oku\|1oku]], [[1okv\|1okv]], [[1okw\|1okw]], [[1ol1\|1ol1]], [[1ol2\|1ol2]], [[1p2a\|1p2a]], [[1p5e\|1p5e]], [[1pkd\|1pkd]], [[1qmz\|1qmz]]</td></tr>
			<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>
			<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=1oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oit OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1oit RCSB], [http://www.ebi.ac.uk/pdbsum/1oit 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/oi/1oit_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 ==
			High-throughput screening identified the imidazo[1,2-a]pyridine and bisanilinopyrimidine series as inhibitors of the cyclin-dependent kinase CDK4. Comparison of their experimentally-determined binding modes and emerging structure-activity trends led to the development of potent and selective imidazo[1,2-a]pyridine inhibitors for CDK4 and in particular CDK2.

	~~{{STRUCTURE_1oit\| PDB=1oit \| SCENE= }}~~		Imidazo[1,2-a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hybridisation.,Anderson M, Beattie JF, Breault GA, Breed J, Byth KF, Culshaw JD, Ellston RP, Green S, Minshull CA, Norman RA, Pauptit RA, Stanway J, Thomas AP, Jewsbury PJ Bioorg Med Chem Lett. 2003 Sep 15;13(18):3021-6. PMID:12941325<ref>PMID:12941325</ref>

	~~===IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
	~~{{ABSTRACT_PUBMED_12941325}}~~

	~~==About this Structure==~~
	~~[[1oit]] 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=1OIT 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:012941325<~~/~~ref~~><~~ref group="xtra">PMID:008917641</ref><references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]

OCA at 16:00, 20 October 2012

2012-10-20T16:00:01Z

← Older revision		Revision as of 16:00, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
	[[1oit]] 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=1OIT OCA].		[[1oit]] 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=1OIT OCA].

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