5xuj - Revision history

OCA at 10:20, 27 March 2024

OCA — Wed, 27 Mar 2024 10:20:28 GMT

←Older revision		Revision as of 10:20, 27 March 2024
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	<StructureSection load='5xuj' size='340' side='right'caption='[[5xuj]], [[Resolution\|resolution]] 2.44Å' scene=''>		<StructureSection load='5xuj' size='340' side='right'caption='[[5xuj]], [[Resolution\|resolution]] 2.44Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5xuj]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XUJ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5XUJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5xuj]] 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=5XUJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5XUJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8G6:7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine'>8G6</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]] 2.44Å</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5xuj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xuj OCA], [~~http~~://pdbe.org/5xuj PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5xuj RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5xuj PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5xuj ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8G6:7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine'>8G6</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=5xuj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xuj OCA], [https://pdbe.org/5xuj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5xuj RCSB], [https://www.ebi.ac.uk/pdbsum/5xuj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5xuj 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;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	In this study, we report the identification of potent pyrimidoindazoles as phosphodiesterase10A (PDE10A) inhibitors by using the method of fragment-based drug discovery (FBDD). The pyrazolopyridine derivative 2 was found to be a fragment hit compound which could occupy a part of the binding site of PDE10A enzyme by using the method of the X-ray co-crystal structure analysis. On the basis of the crystal structure of compound 2 and PDE10A protein, a number of compounds were synthesized and evaluated, by means of structure-activity relationship (SAR) studies, which culminated in the discovery of a novel pyrimidoindazole derivative 13 having good physicochemical properties.	+
-		+
-	Fragment-Based Discovery of Pyrimido[1,2-b]indazole PDE10A Inhibitors.,Chino A, Seo R, Amano Y, Namatame I, Hamaguchi W, Honbou K, Mihara T, Yamazaki M, Tomishima M, Masuda N Chem Pharm Bull (Tokyo). 2018;66(3):286-294. doi: 10.1248/cpb.c17-00836. PMID:29491261<ref>PMID:29491261</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 5xuj" style="background-color:#fffaf0;"></div~~>	+

	==See Also==		==See Also==
Line 25:		Line 17:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Amano, Y]]	+	[[Category: Amano Y]]
-	[[Category: Honbou, K]]	+	[[Category: Honbou K]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Pde10a inhibitor~~]]	+

OCA at 06:59, 14 October 2020

OCA — Wed, 14 Oct 2020 06:59:05 GMT

←Older revision		Revision as of 06:59, 14 October 2020
Line 1:		Line 1:

	==Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine==		==Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine==
-	<StructureSection load='5xuj' size='340' side='right' caption='[[5xuj]], [[Resolution\|resolution]] 2.44Å' scene=''>	+	<StructureSection load='5xuj' size='340' side='right'caption='[[5xuj]], [[Resolution\|resolution]] 2.44Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5xuj]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XUJ OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5XUJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5xuj]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XUJ OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5XUJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8G6:7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine'>8G6</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=8G6:7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine'>8G6</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'>[http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5xuj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xuj OCA], [http://pdbe.org/5xuj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xuj RCSB], [http://www.ebi.ac.uk/pdbsum/5xuj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xuj ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5xuj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xuj OCA], [http://pdbe.org/5xuj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xuj RCSB], [http://www.ebi.ac.uk/pdbsum/5xuj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xuj ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 5xuj" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5xuj" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Phosphodiesterase 3D structures\|Phosphodiesterase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Amano, Y]]		[[Category: Amano, Y]]
	[[Category: Honbou, K]]		[[Category: Honbou, K]]

OCA at 06:26, 14 March 2018

OCA — Wed, 14 Mar 2018 06:26:24 GMT

←Older revision		Revision as of 06:26, 14 March 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5xuj is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine==
		+	<StructureSection load='5xuj' size='340' side='right' caption='[[5xuj]], [[Resolution\|resolution]] 2.44Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5xuj]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XUJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5XUJ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8G6:7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine'>8G6</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5xuj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xuj OCA], [http://pdbe.org/5xuj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xuj RCSB], [http://www.ebi.ac.uk/pdbsum/5xuj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xuj ProSAT]</span></td></tr>
		+	</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;">
		+	== Publication Abstract from PubMed ==
		+	In this study, we report the identification of potent pyrimidoindazoles as phosphodiesterase10A (PDE10A) inhibitors by using the method of fragment-based drug discovery (FBDD). The pyrazolopyridine derivative 2 was found to be a fragment hit compound which could occupy a part of the binding site of PDE10A enzyme by using the method of the X-ray co-crystal structure analysis. On the basis of the crystal structure of compound 2 and PDE10A protein, a number of compounds were synthesized and evaluated, by means of structure-activity relationship (SAR) studies, which culminated in the discovery of a novel pyrimidoindazole derivative 13 having good physicochemical properties.

-	~~Authors: Amano~~, Y., ~~Honbou~~, K.	+	Fragment-Based Discovery of Pyrimido[1,2-b]indazole PDE10A Inhibitors.,Chino A, Seo R, Amano Y, Namatame I, Hamaguchi W, Honbou K, Mihara T, Yamazaki M, Tomishima M, Masuda N Chem Pharm Bull (Tokyo). 2018;66(3):286-294. doi: 10.1248/cpb.c17-00836. PMID:29491261<ref>PMID:29491261</ref>

-	~~Description: Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1~~,5-a~~]pyrimidine~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 5xuj" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Amano, Y]]		[[Category: Amano, Y]]
	[[Category: Honbou, K]]		[[Category: Honbou, K]]
		+	[[Category: Hydrolase]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Pde10a inhibitor]]

OCA at 07:01, 10 January 2018

OCA — Wed, 10 Jan 2018 07:01:14 GMT

←Older revision		Revision as of 07:01, 10 January 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5xuj is ON HOLD	+	The entry 5xuj is ON HOLD until Paper Publication

	Authors: Amano, Y., Honbou, K.		Authors: Amano, Y., Honbou, K.

OCA: Protected "5xuj" [edit=sysop:move=sysop]

OCA — Wed, 27 Sep 2017 15:47:52 GMT

Protected "5xuj" [edit=sysop:move=sysop]

←Older revision

Revision as of 15:47, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 5xuj is ON HOLD Authors: Amano, Y., Honbou, K. Description: Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]p...

OCA — Wed, 27 Sep 2017 15:47:51 GMT

New page: '''Unreleased structure''' The entry 5xuj is ON HOLD Authors: Amano, Y., Honbou, K. Description: Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]p...

New page

'''Unreleased structure'''

The entry 5xuj is ON HOLD

Authors: Amano, Y., Honbou, K.

Description: Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
[[Category: Unreleased Structures]]
[[Category: Amano, Y]]
[[Category: Honbou, K]]