4p0n - Revision history

OCA at 00:38, 28 December 2023

OCA — Thu, 28 Dec 2023 00:38:48 GMT

←Older revision		Revision as of 00:38, 28 December 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4p0n]] is a 2 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=4P0N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4P0N FirstGlance]. <br>		<table><tr><td colspan='2'>[[4p0n]] is a 2 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=4P0N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4P0N FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 2.08Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [https://pdbe.org/4p0n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [https://www.ebi.ac.uk/pdbsum/4p0n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4p0n 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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [https://pdbe.org/4p0n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [https://www.ebi.ac.uk/pdbsum/4p0n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4p0n ProSAT]</span></td></tr>
	</table>		</table>

OCA at 12:35, 1 February 2023

OCA — Wed, 01 Feb 2023 12:35:35 GMT

←Older revision		Revision as of 12:35, 1 February 2023
Line 3:		Line 3:
	<StructureSection load='4p0n' size='340' side='right'caption='[[4p0n]], [[Resolution\|resolution]] 2.08Å' scene=''>		<StructureSection load='4p0n' size='340' side='right'caption='[[4p0n]], [[Resolution\|resolution]] 2.08Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4p0n]] is a 2 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=4P0N OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4P0N FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4p0n]] is a 2 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=4P0N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4P0N FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PDE10A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [https://pdbe.org/4p0n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [https://www.ebi.ac.uk/pdbsum/4p0n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4p0n ProSAT]</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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [~~http~~://pdbe.org/4p0n PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4p0n PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4p0n ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/PDE10_HUMAN PDE10_HUMAN]] Plays a role in signal transduction by regulating the intracellular concentration of cyclic nucleotides. Can hydrolyze both cAMP and cGMP, but has higher affinity for cAMP and is more efficient with cAMP as substrate.<ref>PMID:17389385</ref>	+	[https://www.uniprot.org/uniprot/PDE10_HUMAN PDE10_HUMAN] Plays a role in signal transduction by regulating the intracellular concentration of cyclic nucleotides. Can hydrolyze both cAMP and cGMP, but has higher affinity for cAMP and is more efficient with cAMP as substrate.<ref>PMID:17389385</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 20:

	==See Also==		==See Also==
-	*[[Phosphodiesterase\|Phosphodiesterase]]	+	*[[Phosphodiesterase 3D structures\|Phosphodiesterase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chmait, S]]	+	[[Category: Chmait S]]
-	~~[[Category: Hydrolase-hydrolase inhibitor complex~~]]	+

OCA at 07:21, 17 April 2019

OCA — Wed, 17 Apr 2019 07:21:55 GMT

←Older revision		Revision as of 07:21, 17 April 2019
Line 1:		Line 1:

	==Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor==		==Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor==
-	<StructureSection load='4p0n' size='340' side='right' caption='[[4p0n]], [[Resolution\|resolution]] 2.08Å' scene=''>	+	<StructureSection load='4p0n' size='340' side='right'caption='[[4p0n]], [[Resolution\|resolution]] 2.08Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4p0n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P0N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P0N FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4p0n]] is a 2 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=4P0N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P0N FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PDE10A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [http://pdbe.org/4p0n PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [http://www.ebi.ac.uk/pdbsum/4p0n PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4p0n ProSAT]</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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [http://pdbe.org/4p0n PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [http://www.ebi.ac.uk/pdbsum/4p0n PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4p0n ProSAT]</span></td></tr>
	</table>		</table>
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 4p0n" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4p0n" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Phosphodiesterase\|Phosphodiesterase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Chmait, S]]		[[Category: Chmait, S]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 13:25, 4 August 2016

OCA — Thu, 04 Aug 2016 13:25:48 GMT

←Older revision		Revision as of 13:25, 4 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor==		==Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor==
	<StructureSection load='4p0n' size='340' side='right' caption='[[4p0n]], [[Resolution\|resolution]] 2.08Å' scene=''>		<StructureSection load='4p0n' size='340' side='right' caption='[[4p0n]], [[Resolution\|resolution]] 2.08Å' scene=''>
Line 4:		Line 5:
	<table><tr><td colspan='2'>[[4p0n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P0N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P0N FirstGlance]. <br>		<table><tr><td colspan='2'>[[4p0n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P0N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P0N FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [http://www.ebi.ac.uk/pdbsum/4p0n 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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [http://pdbe.org/4p0n PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [http://www.ebi.ac.uk/pdbsum/4p0n PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4p0n ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 16:		Line 17:
	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 4p0n" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:42, 25 December 2014

OCA — Thu, 25 Dec 2014 09:42:45 GMT

←Older revision		Revision as of 09:42, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4p0n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P0N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P0N FirstGlance]. <br>		<table><tr><td colspan='2'>[[4p0n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P0N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P0N FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [http://www.ebi.ac.uk/pdbsum/4p0n 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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [http://www.ebi.ac.uk/pdbsum/4p0n PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PDE10_HUMAN PDE10_HUMAN]] Plays a role in signal transduction by regulating the intracellular concentration of cyclic nucleotides. Can hydrolyze both cAMP and cGMP, but has higher affinity for cAMP and is more efficient with cAMP as substrate.<ref>PMID:17389385</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 20:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Chmait, S.]]	+	[[Category: Chmait, S]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 00:13, 2 October 2014

OCA — Thu, 02 Oct 2014 00:13:10 GMT

←Older revision		Revision as of 00:13, 2 October 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor==
		+	<StructureSection load='4p0n' size='340' side='right' caption='[[4p0n]], [[Resolution\|resolution]] 2.08Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4p0n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P0N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P0N FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1IR:N-[CIS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IR</scene>, <scene name='pdbligand=1IS:N-[TRANS-3-(2-METHOXY-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)CYCLOBUTYL]-1,3-BENZOTHIAZOL-2-AMINE'>1IS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
		+	<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=4p0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p0n OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p0n RCSB], [http://www.ebi.ac.uk/pdbsum/4p0n PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We report the discovery of novel imidazo[4,5-b]pyridines as potent and selective inhibitors of PDE10A. The investigation began with our recently disclosed ketobenzimidazole 1, which exhibited single digit nanomolar PDE10A activity but poor oral bioavailability. To improve oral bioavailability, we turned to novel scaffold imidazo[4,5-b]pyridine 2, which not only retained nanomolar PDE10A activity but was also devoid of the morpholine metabolic liability. Structure-activity relationship studies were conducted systematically to examine how various regions of the molecule impacted potency. X-ray cocrystal structures of compounds 7 and 24 in human PDE10A helped to elucidate the key bonding interactions. Five of the most potent and structurally diverse imidazo[4,5-b]pyridines (4, 7, 12b, 24a, and 24b) with PDE10A IC50 values ranging from 0.8 to 6.7 nM were advanced into receptor occupancy studies. Four of them (4, 12b, 24a, and 24b) achieved 55-74% RO at 10 mg/kg po.

-	~~The entry 4p0n is ON HOLD until Paper Publication~~	+	Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).,Hu E, Andrews K, Chmait S, Zhao X, Davis C, Miller S, Hill Della Puppa G, Dovlatyan M, Chen H, Lester-Zeiner D, Able J, Biorn C, Ma J, Shi J, Treanor J, Allen JR ACS Med Chem Lett. 2014 Mar 28;5(6):700-5. doi: 10.1021/ml5000993. eCollection, 2014 Jun 12. PMID:24944747<ref>PMID:24944747</ref>

-	~~Authors: Chmait~~, S.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Crystal structure of PDE10a with a novel Imidazo~~[4,~~5-b~~]~~pyridine~~ inhibitor	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Chmait, S.]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 07:21, 23 April 2014

OCA — Wed, 23 Apr 2014 07:21:01 GMT

←Older revision		Revision as of 07:21, 23 April 2014
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-	The entry 4p0n is ON HOLD	+	The entry 4p0n is ON HOLD until Paper Publication

	Authors: Chmait, S.		Authors: Chmait, S.

	Description: Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor		Description: Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor

OCA: Protected "4p0n" [edit=sysop:move=sysop]

OCA — Wed, 12 Mar 2014 12:26:47 GMT

Protected "4p0n" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:26, 12 March 2014

OCA: New page: '''Unreleased structure''' The entry 4p0n is ON HOLD Authors: Chmait, S. Description: Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor

OCA — Wed, 12 Mar 2014 12:26:46 GMT

New page: '''Unreleased structure''' The entry 4p0n is ON HOLD Authors: Chmait, S. Description: Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor

New page

'''Unreleased structure'''

The entry 4p0n is ON HOLD

Authors: Chmait, S.

Description: Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor