3kag - Revision history

OCA at 16:10, 1 November 2023

OCA — Wed, 01 Nov 2023 16:10:04 GMT

←Older revision		Revision as of 16:10, 1 November 2023
Line 3:		Line 3:
	<StructureSection load='3kag' size='340' side='right'caption='[[3kag]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3kag' size='340' side='right'caption='[[3kag]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3kag]] 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=3KAG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KAG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3kag]] 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=3KAG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KAG FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=12P:DODECAETHYLENE+GLYCOL'>12P</scene>~~, ~~<scene name='pdbligand=4D7:3-(1H-BENZIMIDAZOL-2-YL)-N-~~[~~(2-METHYLFURAN-3-YL)CARBONYL]-D-ALANINE'>4D7</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;'>[[3kab\|3kab]], [[3kac\|3kac]], [[3kad\|3kad]], [[3kaf\|3kaf]], [[3kah\|3kah]], [[3kai\|3kai]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=12P:DODECAETHYLENE+GLYCOL'>12P</scene>, <scene name='pdbligand=4D7:3-(1H-BENZIMIDAZOL-2-YL)-N-[(2-METHYLFURAN-3-YL)CARBONYL]-D-ALANINE'>4D7</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>PIN1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~9606 HUMAN])</td~~><~~/tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=5.~~2~~.1.8 5.~~2~~.1.8~~] </~~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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [https://pdbe.org/3kag PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [https://www.ebi.ac.uk/pdbsum/3kag PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kag 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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [https://pdbe.org/3kag PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [https://www.ebi.ac.uk/pdbsum/3kag PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kag ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN]] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis-promoting activity. Displays a preference for an acidic residue N-terminal to the isomerized proline bond. Catalyzes pSer/Thr-Pro cis/trans isomerizations. Down-regulates kinase activity of BTK. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:15664191</ref> <ref>PMID:16644721</ref> <ref>PMID:21497122</ref>	+	[https://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis-promoting activity. Displays a preference for an acidic residue N-terminal to the isomerized proline bond. Catalyzes pSer/Thr-Pro cis/trans isomerizations. Down-regulates kinase activity of BTK. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:15664191</ref> <ref>PMID:16644721</ref> <ref>PMID:21497122</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 38:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Peptidylprolyl isomerase]]~~	+	[[Category: Baker LM]]
-	[[Category: Baker~~, L M~~]]	+	[[Category: Dokurno P]]
-	[[Category: Dokurno, P]]	+	[[Category: Moore JD]]
-	[[Category: Moore~~, J D~~]]	+	[[Category: Murray JB]]
-	[[Category: Murray~~, J B~~]]	+	[[Category: Potter AJ]]
-	[[Category: Potter~~, A J~~]]	+	[[Category: Robinson DA]]
-	[[Category: Robinson~~, D A~~]]	+	[[Category: Surgenor AE]]
-	[[Category: Surgenor~~, A E]]~~	+
-	~~[[Category: Cell cycle]]~~	+
-	~~[[Category: Isomerase]]~~	+
-	~~[[Category: Nucleus]]~~	+
-	~~[[Category: Oncogenic transformation]]~~	+
-	~~[[Category: Phosphoprotein]]~~	+
-	~~[[Category: Ppiase]]~~	+
-	~~[[Category: Proline directed kinase]]~~	+
-	~~[[Category: Rotamase]]~~	+
-	~~[[Category: Sbdd]]~~	+
-	~~[[Category: Small molecule~~]]	+

OCA at 07:49, 10 November 2021

OCA — Wed, 10 Nov 2021 07:49:55 GMT

←Older revision		Revision as of 07:49, 10 November 2021
Line 1:		Line 1:

	==Structure-guided design of alpha-amino acid-derived Pin1 inhibitors==		==Structure-guided design of alpha-amino acid-derived Pin1 inhibitors==
-	<StructureSection load='3kag' size='340' side='right' caption='[[3kag]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='3kag' size='340' side='right'caption='[[3kag]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3kag]] 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=3KAG OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3KAG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3kag]] 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=3KAG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KAG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=12P:DODECAETHYLENE+GLYCOL'>12P</scene>, <scene name='pdbligand=4D7:3-(1H-BENZIMIDAZOL-2-YL)-N-[(2-METHYLFURAN-3-YL)CARBONYL]-D-ALANINE'>4D7</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=12P:DODECAETHYLENE+GLYCOL'>12P</scene>, <scene name='pdbligand=4D7:3-(1H-BENZIMIDAZOL-2-YL)-N-[(2-METHYLFURAN-3-YL)CARBONYL]-D-ALANINE'>4D7</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kab\|3kab]], [[3kac\|3kac]], [[3kad\|3kad]], [[3kaf\|3kaf]], [[3kah\|3kah]], [[3kai\|3kai]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3kab\|3kab]], [[3kac\|3kac]], [[3kad\|3kad]], [[3kaf\|3kaf]], [[3kah\|3kah]], [[3kai\|3kai]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PIN1 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PIN1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [~~http~~://pdbe.org/3kag PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3kag PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3kag 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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [https://pdbe.org/3kag PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [https://www.ebi.ac.uk/pdbsum/3kag PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kag ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN]] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis-promoting activity. Displays a preference for an acidic residue N-terminal to the isomerized proline bond. Catalyzes pSer/Thr-Pro cis/trans isomerizations. Down-regulates kinase activity of BTK. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:15664191</ref> <ref>PMID:16644721</ref> <ref>PMID:21497122</ref>	+	[[https://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN]] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis-promoting activity. Displays a preference for an acidic residue N-terminal to the isomerized proline bond. Catalyzes pSer/Thr-Pro cis/trans isomerizations. Down-regulates kinase activity of BTK. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:15664191</ref> <ref>PMID:16644721</ref> <ref>PMID:21497122</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 33:

	==See Also==		==See Also==
-	*[[Peptidyl-prolyl cis-trans isomerase\|Peptidyl-prolyl cis-trans isomerase]]	+	*[[Peptidyl-prolyl cis-trans isomerase 3D structures\|Peptidyl-prolyl cis-trans isomerase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 39:		Line 39:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Peptidylprolyl isomerase]]		[[Category: Peptidylprolyl isomerase]]
	[[Category: Baker, L M]]		[[Category: Baker, L M]]

OCA at 09:39, 26 December 2018

OCA — Wed, 26 Dec 2018 09:39:24 GMT

←Older revision		Revision as of 09:39, 26 December 2018
Line 1:		Line 1:
		+
	==Structure-guided design of alpha-amino acid-derived Pin1 inhibitors==		==Structure-guided design of alpha-amino acid-derived Pin1 inhibitors==
	<StructureSection load='3kag' size='340' side='right' caption='[[3kag]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3kag' size='340' side='right' caption='[[3kag]], [[Resolution\|resolution]] 1.90Å' scene=''>
Line 7:		Line 8:
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PIN1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PIN1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [http://pdbe.org/3kag PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [http://www.ebi.ac.uk/pdbsum/3kag 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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [http://pdbe.org/3kag PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [http://www.ebi.ac.uk/pdbsum/3kag PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3kag ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 15:		Line 16:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ka/3kag_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ka/3kag_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>

OCA at 17:35, 7 February 2016

OCA — Sun, 07 Feb 2016 17:35:04 GMT

←Older revision		Revision as of 17:35, 7 February 2016
Line 2:		Line 2:
	<StructureSection load='3kag' size='340' side='right' caption='[[3kag]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3kag' size='340' side='right' caption='[[3kag]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3kag]] 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=3KAG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KAG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3kag]] 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=3KAG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KAG FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=12P:DODECAETHYLENE+GLYCOL'>12P</scene>, <scene name='pdbligand=4D7:3-(1H-BENZIMIDAZOL-2-YL)-N-[(2-METHYLFURAN-3-YL)CARBONYL]-D-ALANINE'>4D7</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=12P:DODECAETHYLENE+GLYCOL'>12P</scene>, <scene name='pdbligand=4D7:3-(1H-BENZIMIDAZOL-2-YL)-N-[(2-METHYLFURAN-3-YL)CARBONYL]-D-ALANINE'>4D7</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kab\|3kab]], [[3kac\|3kac]], [[3kad\|3kad]], [[3kaf\|3kaf]], [[3kah\|3kah]], [[3kai\|3kai]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kab\|3kab]], [[3kac\|3kac]], [[3kad\|3kad]], [[3kaf\|3kaf]], [[3kah\|3kah]], [[3kai\|3kai]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PIN1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PIN1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [http://www.ebi.ac.uk/pdbsum/3kag 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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [http://pdbe.org/3kag PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [http://www.ebi.ac.uk/pdbsum/3kag PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	<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=3kag ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 29:
	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 3kag" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Peptidyl-prolyl cis-trans isomerase\|Peptidyl-prolyl cis-trans isomerase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Peptidylprolyl isomerase]]		[[Category: Peptidylprolyl isomerase]]
	[[Category: Baker, L M]]		[[Category: Baker, L M]]

OCA at 17:06, 24 December 2014

OCA — Wed, 24 Dec 2014 17:06:50 GMT

←Older revision		Revision as of 17:06, 24 December 2014
Line 9:		Line 9:
	<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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [http://www.ebi.ac.uk/pdbsum/3kag 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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [http://www.ebi.ac.uk/pdbsum/3kag PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN]] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis-promoting activity. Displays a preference for an acidic residue N-terminal to the isomerized proline bond. Catalyzes pSer/Thr-Pro cis/trans isomerizations. Down-regulates kinase activity of BTK. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:15664191</ref> <ref>PMID:16644721</ref> <ref>PMID:21497122</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 17:55, 18 December 2014

OCA — Thu, 18 Dec 2014 17:55:12 GMT

←Older revision		Revision as of 17:55, 18 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_3kag\| PDB=3kag \| SCENE= }}~~	+	==Structure-guided design of alpha-amino acid-derived Pin1 inhibitors==
-	===Structure-guided design of alpha-amino acid-derived Pin1 inhibitors===	+	<StructureSection load='3kag' size='340' side='right' caption='[[3kag]], [[Resolution\|resolution]] 1.90Å' scene=''>
-	~~{{ABSTRACT_PUBMED_19969456}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3kag]] 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=3KAG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KAG FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=12P:DODECAETHYLENE+GLYCOL'>12P</scene>, <scene name='pdbligand=4D7:3-(1H-BENZIMIDAZOL-2-YL)-N-[(2-METHYLFURAN-3-YL)CARBONYL]-D-ALANINE'>4D7</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kab\|3kab]], [[3kac\|3kac]], [[3kad\|3kad]], [[3kaf\|3kaf]], [[3kah\|3kah]], [[3kai\|3kai]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PIN1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=3kag FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kag OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kag RCSB], [http://www.ebi.ac.uk/pdbsum/3kag 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/ka/3kag_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 peptidyl prolyl cis/trans isomerase Pin1 is a promising molecular target for anti-cancer therapeutics. Here we report the structure-guided evolution of an indole 2-carboxylic acid fragment hit into a series of alpha-benzimidazolyl-substituted amino acids. Examples inhibited Pin1 activity with IC(50) <100nM, but were inactive on cells. Replacement of the benzimidazole ring with a naphthyl group resulted in a 10-50-fold loss in ligand potency, but these examples downregulated biomarkers of Pin1 activity and blocked proliferation of PC3 cells.

-	~~==Function==~~	+	Structure-guided design of alpha-amino acid-derived Pin1 inhibitors.,Potter AJ, Ray S, Gueritz L, Nunns CL, Bryant CJ, Scrace SF, Matassova N, Baker L, Dokurno P, Robinson DA, Surgenor AE, Davis B, Murray JB, Richardson CM, Moore JD Bioorg Med Chem Lett. 2010 Jan 15;20(2):586-90. Epub 2009 Nov 22. PMID:19969456<ref>PMID:19969456</ref>
-	~~[[http://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN]] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis~~-~~promoting activity~~. ~~Displays a preference for an acidic residue~~ N~~-terminal to the isomerized proline bond~~. ~~Catalyzes pSer/Thr~~-~~Pro cis/trans isomerizations~~. ~~Down-regulates kinase activity of BTK~~. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:~~15664191</ref> <ref>PMID:16644721</ref>~~ <ref>PMID:~~21497122~~</ref>	+

-	~~==About this Structure==~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[3kag]] 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=3KAG OCA].~~	+	</div>
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	~~<ref group="xtra">PMID:019969456</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Peptidylprolyl isomerase]]		[[Category: Peptidylprolyl isomerase]]
-	[[Category: Baker, L M.]]	+	[[Category: Baker, L M]]
-	[[Category: Dokurno, P.]]	+	[[Category: Dokurno, P]]
-	[[Category: Moore, J D.]]	+	[[Category: Moore, J D]]
-	[[Category: Murray, J B.]]	+	[[Category: Murray, J B]]
-	[[Category: Potter, A J.]]	+	[[Category: Potter, A J]]
-	[[Category: Robinson, D A.]]	+	[[Category: Robinson, D A]]
-	[[Category: Surgenor, A E.]]	+	[[Category: Surgenor, A E]]
	[[Category: Cell cycle]]		[[Category: Cell cycle]]
	[[Category: Isomerase]]		[[Category: Isomerase]]

OCA: Protected "3kag" [edit=sysop:move=sysop]

OCA — Thu, 04 Apr 2013 02:33:15 GMT

Protected "3kag" [edit=sysop:move=sysop]

←Older revision

Revision as of 02:33, 4 April 2013

OCA at 02:33, 4 April 2013

OCA — Thu, 04 Apr 2013 02:33:13 GMT

←Older revision		Revision as of 02:33, 4 April 2013
Line 1:		Line 1:
-	{{Seed}}
-	[[Image:3kag.png\|left\|200px]]
-
-	<!--
-	The line below this paragraph, containing "STRUCTURE_3kag", 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_3kag\| PDB=3kag \| SCENE= }}		{{STRUCTURE_3kag\| PDB=3kag \| SCENE= }}
-
	===Structure-guided design of alpha-amino acid-derived Pin1 inhibitors===		===Structure-guided design of alpha-amino acid-derived Pin1 inhibitors===
		+	{{ABSTRACT_PUBMED_19969456}}

-		+	==Function==
-	~~<!--~~	+	[[http://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN]] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis-promoting activity. Displays a preference for an acidic residue N-terminal to the isomerized proline bond. Catalyzes pSer/Thr-Pro cis/trans isomerizations. Down-regulates kinase activity of BTK. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:15664191</ref> <ref>PMID:16644721</ref> <ref>PMID:21497122</ref>
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_19969456}}, adds the Publication Abstract to the page~~	+
-	~~(as it appears on PubMed at~~ http://www.~~pubmed~~.~~gov), where 19969456 is~~ the ~~PubMed ID number~~.	+
-	-->	+
-	~~{{ABSTRACT_PUBMED_19969456}}~~	+

	==About this Structure==		==About this Structure==
-	~~3KAG~~ 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=3KAG OCA].	+	[[3kag]] 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=3KAG OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19969456~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019969456</ref><references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Peptidylprolyl isomerase]]		[[Category: Peptidylprolyl isomerase]]
Line 43:		Line 30:
	[[Category: Sbdd]]		[[Category: Sbdd]]
	[[Category: Small molecule]]		[[Category: Small molecule]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 6 09:05:08 2010''

OCA at 07:05, 6 January 2010

OCA — Wed, 06 Jan 2010 07:05:09 GMT

←Older revision		Revision as of 07:05, 6 January 2010
Line 1:		Line 1:
	{{Seed}}		{{Seed}}
-	[[Image:3kag.~~jpg~~\|left\|200px]]	+	[[Image:3kag.png\|left\|200px]]

	<!--		<!--
Line 44:		Line 44:
	[[Category: Small molecule]]		[[Category: Small molecule]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Thu Dec 24 07~~:32:~~34 2009~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 6 09:05:08 2010''

OCA at 05:32, 24 December 2009

OCA — Thu, 24 Dec 2009 05:32:34 GMT

←Older revision		Revision as of 05:32, 24 December 2009
Line 12:		Line 12:
	===Structure-guided design of alpha-amino acid-derived Pin1 inhibitors===		===Structure-guided design of alpha-amino acid-derived Pin1 inhibitors===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_19969456}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 19969456 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_19969456}}

	==About this Structure==		==About this Structure==
Line 38:		Line 44:
	[[Category: Small molecule]]		[[Category: Small molecule]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Wed~~ Dec ~~23 09~~:47:17 2009''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Dec 24 07:32:34 2009''