4bbx - Revision history

OCA at 10:59, 9 May 2024

2024-05-09T10:59:15Z

←Older revision		Revision as of 10:59, 9 May 2024
Line 3:		Line 3:
	<StructureSection load='4bbx' size='340' side='right'caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='4bbx' size='340' side='right'caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bbx]] is a 2 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BBX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BBX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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]] 2.5Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [https://pdbe.org/4bbx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [https://www.ebi.ac.uk/pdbsum/4bbx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bbx 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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [https://pdbe.org/4bbx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [https://www.ebi.ac.uk/pdbsum/4bbx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bbx ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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>	+	[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 26:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bartolome-Nebreda~~, J M~~]]	+	[[Category: Bartolome-Nebreda JM]]
-	[[Category: Conde-Ceide, S]]	+	[[Category: Conde-Ceide S]]
-	[[Category: Delgado, F]]	+	[[Category: Delgado F]]
-	[[Category: Iturrino, L]]	+	[[Category: Iturrino L]]
-	[[Category: Langlois, X]]	+	[[Category: Langlois X]]
-	[[Category: Macdonald~~, G J~~]]	+	[[Category: Macdonald GJ]]
-	[[Category: Martin~~, M L~~]]	+	[[Category: Martin ML]]
-	[[Category: Martinez-Viturro~~, C M~~]]	+	[[Category: Martinez-Viturro CM]]
-	[[Category: Megens, A]]	+	[[Category: Megens A]]
-	[[Category: Pastor, J]]	+	[[Category: Pastor J]]
-	[[Category: Sanderson, W]]	+	[[Category: Sanderson W]]
-	[[Category: Somers, M]]	+	[[Category: Somers M]]
-	[[Category: Tong~~, H M~~]]	+	[[Category: Tong HM]]
-	[[Category: Vanhoof, G]]	+	[[Category: Vanhoof G]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor complex]]~~	+
-	~~[[Category: Magnesium binding]]~~	+
-	~~[[Category: Phosphodiesterase inhibitor]]~~	+
-	~~[[Category: Zinc binding~~]]	+

OCA at 07:07, 31 August 2022

2022-08-31T07:07:25Z

←Older revision		Revision as of 07:07, 31 August 2022
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	<StructureSection load='4bbx' size='340' side='right'caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='4bbx' size='340' side='right'caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4BBX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bbx]] is a 2 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BBX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</div></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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [~~http~~://pdbe.org/4bbx PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4bbx PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4bbx 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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [https://pdbe.org/4bbx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [https://www.ebi.ac.uk/pdbsum/4bbx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bbx 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 21:

	==See Also==		==See Also==
-	*[[Phosphodiesterase\|Phosphodiesterase]]	+	*[[Phosphodiesterase 3D structures\|Phosphodiesterase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 14:02, 13 March 2019

2019-03-13T14:02:05Z

←Older revision		Revision as of 14:02, 13 March 2019
Line 1:		Line 1:

	==Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia==		==Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia==
-	<StructureSection load='4bbx' size='340' side='right' caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>	+	<StructureSection load='4bbx' size='340' side='right'caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BBX FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BBX FirstGlance]. <br>
Line 27:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Bartolome-Nebreda, J M]]		[[Category: Bartolome-Nebreda, J M]]
	[[Category: Conde-Ceide, S]]		[[Category: Conde-Ceide, S]]

OCA at 16:50, 5 August 2016

2016-08-05T16:50:43Z

←Older revision		Revision as of 16:50, 5 August 2016
Line 1:		Line 1:
		+
	==Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia==		==Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia==
	<StructureSection load='4bbx' size='340' side='right' caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='4bbx' size='340' side='right' caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [http://www.ebi.ac.uk/pdbsum/4bbx 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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [http://pdbe.org/4bbx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [http://www.ebi.ac.uk/pdbsum/4bbx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4bbx ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	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 4bbx" style="background-color:#fffaf0;"></div>

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

OCA at 04:10, 25 December 2014

2014-12-25T04:10:07Z

←Older revision		Revision as of 04:10, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BBX FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BBX FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [http://www.ebi.ac.uk/pdbsum/4bbx 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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [http://www.ebi.ac.uk/pdbsum/4bbx 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 13:		Line 15:
	Discovery of a potent, selective and orally active PDE10A inhibitor for the potential treatment of schizophrenia.,Bartolome-Nebreda JM, Delgado F, Martin ML, Martinez-Viturro CM, Pastor J, Tong HM, Iturrino L, Macdonald GJ, Sanderson WE, Megens A, Langlois X, Somers M, Vanhoof G, Conde Ceide S J Med Chem. 2014 Apr 23. PMID:24758746<ref>PMID:24758746</ref>		Discovery of a potent, selective and orally active PDE10A inhibitor for the potential treatment of schizophrenia.,Bartolome-Nebreda JM, Delgado F, Martin ML, Martinez-Viturro CM, Pastor J, Tong HM, Iturrino L, Macdonald GJ, Sanderson WE, Megens A, Langlois X, Somers M, Vanhoof G, Conde Ceide S J Med Chem. 2014 Apr 23. PMID:24758746<ref>PMID:24758746</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>

Line 23:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
-	[[Category: Bartolome-Nebreda, J M.]]	+	[[Category: Bartolome-Nebreda, J M]]
-	[[Category: Conde-Ceide, S.]]	+	[[Category: Conde-Ceide, S]]
-	[[Category: Delgado, F.]]	+	[[Category: Delgado, F]]
-	[[Category: Iturrino, L.]]	+	[[Category: Iturrino, L]]
-	[[Category: Langlois, X.]]	+	[[Category: Langlois, X]]
-	[[Category: Macdonald, G J.]]	+	[[Category: Macdonald, G J]]
-	[[Category: Martin, M L.]]	+	[[Category: Martin, M L]]
-	[[Category: Martinez-Viturro, C M.]]	+	[[Category: Martinez-Viturro, C M]]
-	[[Category: Megens, A.]]	+	[[Category: Megens, A]]
-	[[Category: Pastor, J.]]	+	[[Category: Pastor, J]]
-	[[Category: Sanderson, W.]]	+	[[Category: Sanderson, W]]
-	[[Category: Somers, M.]]	+	[[Category: Somers, M]]
-	[[Category: Tong, H M.]]	+	[[Category: Tong, H M]]
-	[[Category: Vanhoof, G.]]	+	[[Category: Vanhoof, G]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Inhibitor complex]]		[[Category: Inhibitor complex]]

OCA at 04:44, 4 June 2014

2014-06-04T04:44:08Z

←Older revision		Revision as of 04:44, 4 June 2014
Line 2:		Line 2:
	<StructureSection load='4bbx' size='340' side='right' caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='4bbx' size='340' side='right' caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. <br>	+	<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BBX FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>		</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</td></tr>		<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [http://www.ebi.ac.uk/pdbsum/4bbx PDBsum]</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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [http://www.ebi.ac.uk/pdbsum/4bbx PDBsum]</span></td></tr>
	<table>		<table>
Line 16:		Line 15:
	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>		From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+
		+	==See Also==
		+	*[[Phosphodiesterase\|Phosphodiesterase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:06, 7 May 2014

2014-05-07T07:06:11Z

←Older revision		Revision as of 07:06, 7 May 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4bbx\| PDB=4bbx \| SCENE= }}~~	+	==Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia==
-	===Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia===	+	<StructureSection load='4bbx' size='340' side='right' caption='[[4bbx]], [[Resolution\|resolution]] 2.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1lrb\|1lrb]], [[2wey\|2wey]], [[2y0j\|2y0j]], [[4ael\|4ael]], [[4ajd\|4ajd]], [[4ajf\|4ajf]], [[4ajg\|4ajg]], [[4ajm\|4ajm]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [http://www.ebi.ac.uk/pdbsum/4bbx PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We report the discovery of a series of imidazo[1,2-a]pyrazine derivatives as novel inhibitors of phosphodiesterase 10A (PDE10A). In a high throughput screening (HTS) campaign we identified the imidazopyrazine derivative 1, a PDE10A inhibitor with limited selectivity versus the other phosphodiesterases (PDEs). Subsequent investigation of 1 and replacement of the trimethoxyphenyl group by a methoxyethylpyrazole moiety maintained PDE10A inhibition but enhanced selectivity against the other PDEs. Systematic examination and analysis of structure-activity- and structure-properties-relationships (SAR and SPR) resulted in the discovery of 2, an in vitro potent and selective inhibitor of PDE10A with high striatal occupancy of PDE10A, promising in vivo efficacy in different rodent behavioral models of schizophrenia, and good pharmacokinetic profile in rats.

-	~~==Function==~~	+	Discovery of a potent, selective and orally active PDE10A inhibitor for the potential treatment of schizophrenia.,Bartolome-Nebreda JM, Delgado F, Martin ML, Martinez-Viturro CM, Pastor J, Tong HM, Iturrino L, Macdonald GJ, Sanderson WE, Megens A, Langlois X, Somers M, Vanhoof G, Conde Ceide S J Med Chem. 2014 Apr 23. PMID:24758746<ref>PMID:24758746</ref>
-	~~[[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>	+

-	~~==About this Structure==~~	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-	~~[[4bbx]] is~~ a ~~2 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=4BBX OCA].~~	+	</div>
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<references ~~group="xtra"~~/><~~references~~/>	+	__TOC__
-	[[Category: ~~Homo sapiens~~]]	+	</StructureSection>
		+	[[Category: Human]]
	[[Category: Bartolome-Nebreda, J M.]]		[[Category: Bartolome-Nebreda, J M.]]
	[[Category: Conde-Ceide, S.]]		[[Category: Conde-Ceide, S.]]

OCA at 08:05, 16 October 2013

2013-10-16T08:05:27Z

←Older revision		Revision as of 08:05, 16 October 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_4bbx\| PDB=4bbx \| SCENE= }}
		+	===Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia===

-	~~The entry 4bbx~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	==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>

-	~~Authors~~: ~~Bartolome-Nebreda, J~~.M.~~, Conde-Ceide, S~~.~~, Delgado, F~~.~~, Martin, M~~.L.~~, Martinez~~-~~Viturro, C.M., Pastor, J., Tong, H.M., Iturrino, L., Macdonald, G.J., Sanderson, W., Megens, A., Langlois, X., Somers, M., Vanhoof, G~~.	+	==About this Structure==
		+	[[4bbx]] is a 2 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=4BBX OCA].

-	~~Description~~: ~~Discovery of a potent~~, ~~selective and orally active PDE10A~~ inhibitor ~~for the treatment of schizophrenia~~	+	==Reference==
		+	<references group="xtra"/><references/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Bartolome-Nebreda, J M.]]
		+	[[Category: Conde-Ceide, S.]]
		+	[[Category: Delgado, F.]]
		+	[[Category: Iturrino, L.]]
		+	[[Category: Langlois, X.]]
		+	[[Category: Macdonald, G J.]]
		+	[[Category: Martin, M L.]]
		+	[[Category: Martinez-Viturro, C M.]]
		+	[[Category: Megens, A.]]
		+	[[Category: Pastor, J.]]
		+	[[Category: Sanderson, W.]]
		+	[[Category: Somers, M.]]
		+	[[Category: Tong, H M.]]
		+	[[Category: Vanhoof, G.]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor complex]]
		+	[[Category: Magnesium binding]]
		+	[[Category: Phosphodiesterase inhibitor]]
		+	[[Category: Zinc binding]]

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

2012-10-10T06:43:35Z

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

←Older revision

Revision as of 06:43, 10 October 2012

OCA: New page: '''Unreleased structure''' The entry 4bbx is ON HOLD until Paper Publication Authors: Bartolome-Nebreda, J.M., Conde-Ceide, S., Delgado, F., Martin, M.L., Martinez-Viturro, C.M., Pastor...

2012-10-10T06:43:34Z

New page: '''Unreleased structure''' The entry 4bbx is ON HOLD until Paper Publication Authors: Bartolome-Nebreda, J.M., Conde-Ceide, S., Delgado, F., Martin, M.L., Martinez-Viturro, C.M., Pastor...

New page

'''Unreleased structure'''

The entry 4bbx is ON HOLD until Paper Publication

Authors: Bartolome-Nebreda, J.M., Conde-Ceide, S., Delgado, F., Martin, M.L., Martinez-Viturro, C.M., Pastor, J., Tong, H.M., Iturrino, L., Macdonald, G.J., Sanderson, W., Megens, A., Langlois, X., Somers, M., Vanhoof, G.

Description: Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia