1wbn - Revision history

OCA at 09:14, 9 May 2024

OCA — Thu, 09 May 2024 09:14:08 GMT

←Older revision		Revision as of 09:14, 9 May 2024
Line 3:		Line 3:
	<StructureSection load='1wbn' size='340' side='right'caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='1wbn' size='340' side='right'caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1WBN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1WBN FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=L09:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N-{4-CHLORO-3~~-[~~(PYRIDIN-3-YLOXY)METHYL~~]~~PHENYL}UREA'>L09</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]] 2.4Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=L09:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA'>L09</scene></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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [https://pdbe.org/1wbn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [https://www.ebi.ac.uk/pdbsum/1wbn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1wbn 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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [https://pdbe.org/1wbn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [https://www.ebi.ac.uk/pdbsum/1wbn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1wbn ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/MK14_HUMAN MK14_HUMAN] Serine/threonine kinase which acts as an essential component of the MAP kinase signal transduction pathway. MAPK14 is one of the four p38 MAPKs which play an important role in the cascades of cellular responses evoked by extracellular stimuli such as proinflammatory cytokines or physical stress leading to direct activation of transcription factors. Accordingly, p38 MAPKs phosphorylate a broad range of proteins and it has been estimated that they may have approximately 200 to 300 substrates each. Some of the targets are downstream kinases which are activated through phosphorylation and further phosphorylate additional targets. RPS6KA5/MSK1 and RPS6KA4/MSK2 can directly phosphorylate and activate transcription factors such as CREB1, ATF1, the NF-kappa-B isoform RELA/NFKB3, STAT1 and STAT3, but can also phosphorylate histone H3 and the nucleosomal protein HMGN1. RPS6KA5/MSK1 and RPS6KA4/MSK2 play important roles in the rapid induction of immediate-early genes in response to stress or mitogenic stimuli, either by inducing chromatin remodeling or by recruiting the transcription machinery. On the other hand, two other kinase targets, MAPKAPK2/MK2 and MAPKAPK3/MK3, participate in the control of gene expression mostly at the post-transcriptional level, by phosphorylating ZFP36 (tristetraprolin) and ELAVL1, and by regulating EEF2K, which is important for the elongation of mRNA during translation. MKNK1/MNK1 and MKNK2/MNK2, two other kinases activated by p38 MAPKs, regulate protein synthesis by phosphorylating the initiation factor EIF4E2. MAPK14 interacts also with casein kinase II, leading to its activation through autophosphorylation and further phosphorylation of TP53/p53. In the cytoplasm, the p38 MAPK pathway is an important regulator of protein turnover. For example, CFLAR is an inhibitor of TNF-induced apoptosis whose proteasome-mediated degradation is regulated by p38 MAPK phosphorylation. In a similar way, MAPK14 phosphorylates the ubiquitin ligase SIAH2, regulating its activity towards EGLN3. MAPK14 may also inhibit the lysosomal degradation pathway of autophagy by interfering with the intracellular trafficking of the transmembrane protein ATG9. Another function of MAPK14 is to regulate the endocytosis of membrane receptors by different mechanisms that impinge on the small GTPase RAB5A. In addition, clathrin-mediated EGFR internalization induced by inflammatory cytokines and UV irradiation depends on MAPK14-mediated phosphorylation of EGFR itself as well as of RAB5A effectors. Ectodomain shedding of transmembrane proteins is regulated by p38 MAPKs as well. In response to inflammatory stimuli, p38 MAPKs phosphorylate the membrane-associated metalloprotease ADAM17. Such phosphorylation is required for ADAM17-mediated ectodomain shedding of TGF-alpha family ligands, which results in the activation of EGFR signaling and cell proliferation. Another p38 MAPK substrate is FGFR1. FGFR1 can be translocated from the extracellular space into the cytosol and nucleus of target cells, and regulates processes such as rRNA synthesis and cell growth. FGFR1 translocation requires p38 MAPK activation. In the nucleus, many transcription factors are phosphorylated and activated by p38 MAPKs in response to different stimuli. Classical examples include ATF1, ATF2, ATF6, ELK1, PTPRH, DDIT3, TP53/p53 and MEF2C and MEF2A. The p38 MAPKs are emerging as important modulators of gene expression by regulating chromatin modifiers and remodelers. The promoters of several genes involved in the inflammatory response, such as IL6, IL8 and IL12B, display a p38 MAPK-dependent enrichment of histone H3 phosphorylation on 'Ser-10' (H3S10ph) in LPS-stimulated myeloid cells. This phosphorylation enhances the accessibility of the cryptic NF-kappa-B-binding sites marking promoters for increased NF-kappa-B recruitment. Phosphorylates CDC25B and CDC25C which is required for binding to 14-3-3 proteins and leads to initiation of a G2 delay after ultraviolet radiation. Phosphorylates TIAR following DNA damage, releasing TIAR from GADD45A mRNA and preventing mRNA degradation. The p38 MAPKs may also have kinase-independent roles, which are thought to be due to the binding to targets in the absence of phosphorylation. Protein O-Glc-N-acylation catalyzed by the OGT is regulated by MAPK14, and, although OGT does not seem to be phosphorylated by MAPK14, their interaction increases upon MAPK14 activation induced by glucose deprivation. This interaction may regulate OGT activity by recruiting it to specific targets such as neurofilament H, stimulating its O-Glc-N-acylation. Required in mid-fetal development for the growth of embryo-derived blood vessels in the labyrinth layer of the placenta. Also plays an essential role in developmental and stress-induced erythropoiesis, through regulation of EPO gene expression. Isoform MXI2 activation is stimulated by mitogens and oxidative stress and only poorly phosphorylates ELK1 and ATF2. Isoform EXIP may play a role in the early onset of apoptosis. Phosphorylates S100A9 at 'Thr-113'.<ref>PMID:9687510</ref> <ref>PMID:9430721</ref> <ref>PMID:9792677</ref> <ref>PMID:9858528</ref> <ref>PMID:10330143</ref> <ref>PMID:10943842</ref> <ref>PMID:10838079</ref> <ref>PMID:10747897</ref> <ref>PMID:11154262</ref> <ref>PMID:11333986</ref> <ref>PMID:15905572</ref> <ref>PMID:16932740</ref> <ref>PMID:17003045</ref> <ref>PMID:17724032</ref> <ref>PMID:19893488</ref> <ref>PMID:20932473</ref> <ref>PMID:20188673</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 35:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Transferase]]~~	+	[[Category: Cleasby A]]
-	[[Category: Cleasby, A]]	+	[[Category: Devine LA]]
-	[[Category: Devine~~, L A~~]]	+	[[Category: Gill AL]]
-	[[Category: Gill~~, A L~~]]	+	[[Category: Jhoti H]]
-	[[Category: Jhoti, H]]	+
-	~~[[Category: Alternative splicing]]~~	+
-	~~[[Category: Atp-binding]]~~	+
-	~~[[Category: Inhibitor structure]]~~	+
-	~~[[Category: Nuclear protein]]~~	+
-	~~[[Category: P38 map kinase]]~~	+
-	~~[[Category: Phosphorylation]]~~	+
-	~~[[Category: Serine/threonine protein kinase~~]]	+

OCA at 16:17, 27 October 2021

OCA — Wed, 27 Oct 2021 16:17:09 GMT

←Older revision		Revision as of 16:17, 27 October 2021
Line 3:		Line 3:
	<StructureSection load='1wbn' size='340' side='right'caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='1wbn' size='340' side='right'caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1WBN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1WBN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L09:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA'>L09</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=L09:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA'>L09</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [~~http~~://pdbe.org/1wbn PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1wbn PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1wbn 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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [https://pdbe.org/1wbn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [https://www.ebi.ac.uk/pdbsum/1wbn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1wbn ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 17:16, 22 January 2020

OCA — Wed, 22 Jan 2020 17:16:25 GMT

←Older revision		Revision as of 17:16, 22 January 2020
Line 1:		Line 1:

	==fragment based p38 inhibitors==		==fragment based p38 inhibitors==
-	<StructureSection load='1wbn' size='340' side='right' caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>	+	<StructureSection load='1wbn' size='340' side='right'caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1WBN FirstGlance]. <br>		<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1WBN FirstGlance]. <br>
Line 30:		Line 30:

	==See Also==		==See Also==
-	*[[Mitogen-activated protein kinase\|Mitogen-activated protein kinase]]	+	*[[Mitogen-activated protein kinase 3D structures\|Mitogen-activated protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 36:		Line 36:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Transferase]]		[[Category: Transferase]]
	[[Category: Cleasby, A]]		[[Category: Cleasby, A]]

OCA at 16:03, 11 April 2018

OCA — Wed, 11 Apr 2018 16:03:06 GMT

←Older revision		Revision as of 16:03, 11 April 2018
Line 1:		Line 1:
-	==~~FRAGMENT BASED P38 INHIBITORS~~==	+
		+	==fragment based p38 inhibitors==
	<StructureSection load='1wbn' size='340' side='right' caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='1wbn' size='340' side='right' caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [http://pdbe.org/1wbn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [http://www.ebi.ac.uk/pdbsum/1wbn 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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [http://pdbe.org/1wbn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [http://www.ebi.ac.uk/pdbsum/1wbn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1wbn ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 12:		Line 13:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wb/1wbn_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wb/1wbn_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>
	</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=1wbn ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 40:		Line 41:
	[[Category: Gill, A L]]		[[Category: Gill, A L]]
	[[Category: Jhoti, H]]		[[Category: Jhoti, H]]
		+	[[Category: Alternative splicing]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Inhibitor structure]]		[[Category: Inhibitor structure]]

OCA at 08:15, 11 September 2015

OCA — Fri, 11 Sep 2015 08:15:48 GMT

←Older revision		Revision as of 08:15, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='1wbn' size='340' side='right' caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='1wbn' size='340' side='right' caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1WBN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1WBN FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L09:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA'>L09</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L09:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA'>L09</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [http://www.ebi.ac.uk/pdbsum/1wbn 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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [http://pdbe.org/1wbn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [http://www.ebi.ac.uk/pdbsum/1wbn PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 26:		Line 26:
	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 1wbn" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 33:		Line 34:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
-	[[Category: ~~Non-specific serine/threonine protein kinase~~]]	+	[[Category: Transferase]]
	[[Category: Cleasby, A]]		[[Category: Cleasby, A]]
	[[Category: Devine, L A]]		[[Category: Devine, L A]]
Line 45:		Line 46:
	[[Category: Phosphorylation]]		[[Category: Phosphorylation]]
	[[Category: Serine/threonine protein kinase]]		[[Category: Serine/threonine protein kinase]]
-	[[Category: Transferase]]

OCA at 13:23, 6 January 2015

OCA — Tue, 06 Jan 2015 13:23:27 GMT

←Older revision		Revision as of 13:23, 6 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1WBN FirstGlance]. <br>		<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1WBN FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L09:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA'>L09</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L09:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA'>L09</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [http://www.ebi.ac.uk/pdbsum/1wbn 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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [http://www.ebi.ac.uk/pdbsum/1wbn 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 35:		Line 35:
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
-	[[Category: Cleasby, A.]]	+	[[Category: Cleasby, A]]
-	[[Category: Devine, L A.]]	+	[[Category: Devine, L A]]
-	[[Category: Gill, A L.]]	+	[[Category: Gill, A L]]
-	[[Category: Jhoti, H.]]	+	[[Category: Jhoti, H]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Inhibitor structure]]		[[Category: Inhibitor structure]]

OCA at 22:42, 28 September 2014

OCA — Sun, 28 Sep 2014 22:42:48 GMT

←Older revision		Revision as of 22:42, 28 September 2014
Line 1:		Line 1:
-	[[~~Image:~~1wbn.~~png~~\|~~left~~\|200px]]	+	==FRAGMENT BASED P38 INHIBITORS==
		+	<StructureSection load='1wbn' size='340' side='right' caption='[[1wbn]], [[Resolution\|resolution]] 2.40Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1wbn]] 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=1WBN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1WBN FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L09:N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA'>L09</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a9u\|1a9u]], [[1bl6\|1bl6]], [[1bl7\|1bl7]], [[1bmk\|1bmk]], [[1di9\|1di9]], [[1ian\|1ian]], [[1kv1\|1kv1]], [[1kv2\|1kv2]], [[1m7q\|1m7q]], [[1ouk\|1ouk]], [[1ouy\|1ouy]], [[1ove\|1ove]], [[1oz1\|1oz1]], [[1r39\|1r39]], [[1r3c\|1r3c]], [[1w7h\|1w7h]], [[1w82\|1w82]], [[1w83\|1w83]], [[1w84\|1w84]], [[1wbo\|1wbo]], [[1wbs\|1wbs]], [[1wbt\|1wbt]], [[1wbv\|1wbv]], [[1wbw\|1wbw]], [[1wfc\|1wfc]], [[1yqj\|1yqj]], [[1zz2\|1zz2]], [[1zzl\|1zzl]]</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=1wbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1wbn RCSB], [http://www.ebi.ac.uk/pdbsum/1wbn 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/wb/1wbn_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 ==
		+	We describe the structure-guided optimization of the molecular fragments 2-amino-3-benzyloxypyridine 1 (IC(50) 1.3 mM) and 3-(2-(4-pyridyl)ethyl)indole 2 (IC(50) 35 microM) identified using X-ray crystallographic screening of p38alpha MAP kinase. Using two separate case studies, the article focuses on the key compounds synthesized, the structure-activity relationships and the binding mode observations made during this optimization process, resulting in two potent lead series that demonstrate significant increases in activity. We describe the process of compound elaboration either through the growing out from fragments into adjacent pockets or through the conjoining of overlapping fragments and demonstrate that we have exploited the mobile conserved activation loop, consisting in part of Asp168-Phe169-Gly170 (DFG), to generate significant improvements in potency and kinase selectivity.

-	~~{{STRUCTURE_1wbn\| PDB=1wbn \| SCENE= }}~~	+	Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.,Gill AL, Frederickson M, Cleasby A, Woodhead SJ, Carr MG, Woodhead AJ, Walker MT, Congreve MS, Devine LA, Tisi D, O'Reilly M, Seavers LC, Davis DJ, Curry J, Anthony R, Padova A, Murray CW, Carr RA, Jhoti H J Med Chem. 2005 Jan 27;48(2):414-26. PMID:15658855<ref>PMID:15658855</ref>

-	~~===FRAGMENT BASED P38 INHIBITORS===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_15658855}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1wbn]] 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=1WBN OCA].~~	+

	==See Also==		==See Also==
	*[[Mitogen-activated protein kinase\|Mitogen-activated protein kinase]]		*[[Mitogen-activated protein kinase\|Mitogen-activated protein kinase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:015658855<~~/~~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 17:23, 20 October 2012

OCA — Sat, 20 Oct 2012 17:23:51 GMT

←Older revision		Revision as of 17:23, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1wbn]] is a 1 chain structure ~~of [[Mitogen-activated protein kinase]]~~ 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=1WBN OCA].	+	[[1wbn]] 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=1WBN OCA].

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

OCA: Protected "1wbn" [edit=sysop:move=sysop]

OCA — Fri, 27 Jul 2012 00:45:44 GMT

Protected "1wbn" [edit=sysop:move=sysop]

←Older revision

Revision as of 00:45, 27 July 2012

OCA at 00:45, 27 July 2012

OCA — Fri, 27 Jul 2012 00:45:42 GMT

←Older revision		Revision as of 00:45, 27 July 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:1wbn.png\|left\|200px]]		[[Image:1wbn.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1wbn", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_1wbn\| PDB=1wbn \| SCENE= }}		{{STRUCTURE_1wbn\| PDB=1wbn \| SCENE= }}

	===FRAGMENT BASED P38 INHIBITORS===		===FRAGMENT BASED P38 INHIBITORS===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_15658855}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 15658855 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_15658855}}		{{ABSTRACT_PUBMED_15658855}}

	==About this Structure==		==About this Structure==
-	~~1WBN~~ is a 1 chain structure of 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=1WBN OCA].	+	[[1wbn]] is a 1 chain structure of [[Mitogen-activated protein kinase]] 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=1WBN OCA].
		+
		+	==See Also==
		+	*[[Mitogen-activated protein kinase\|Mitogen-activated protein kinase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~15658855~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:015658855</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
Line 30:		Line 21:
	[[Category: Gill, A L.]]		[[Category: Gill, A L.]]
	[[Category: Jhoti, H.]]		[[Category: Jhoti, H.]]
-	[[Category: Alternative splicing]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Inhibitor structure]]		[[Category: Inhibitor structure]]
Line 38:		Line 28:
	[[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 Tue Feb 17 17:45:44 2009''