5j6d - Revision history

OCA at 10:51, 6 September 2023

OCA — Wed, 06 Sep 2023 10:51:03 GMT

←Older revision		Revision as of 10:51, 6 September 2023
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	<StructureSection load='5j6d' size='340' side='right'caption='[[5j6d]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='5j6d' size='340' side='right'caption='[[5j6d]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5j6d]] 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=5J6D OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5J6D FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5j6d]] 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=5J6D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5J6D FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6H5:4-[(N-{[2-(3-METHOXYPHENOXY)-6-(PIPERIDIN-1-YL)PHENYL]METHYL}CARBAMIMIDOYL)CARBAMOYL]-L-PHENYLALANINE'>6H5</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TPH1, TPH, TPRH, TRPH ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6H5:4-[(N-{[2-(3-METHOXYPHENOXY)-6-(PIPERIDIN-1-YL)PHENYL]METHYL}CARBAMIMIDOYL)CARBAMOYL]-L-PHENYLALANINE'>6H5</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Tryptophan_5-monooxygenase Tryptophan 5-monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.16.4 1.14.16.4] </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=5j6d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j6d OCA], [https://pdbe.org/5j6d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5j6d RCSB], [https://www.ebi.ac.uk/pdbsum/5j6d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5j6d 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=5j6d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j6d OCA], [~~http~~://pdbe.org/5j6d PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5j6d RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5j6d PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5j6d ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TPH1_HUMAN TPH1_HUMAN]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Tryptophan 5-monooxygenase~~]]	+	[[Category: De Lombaert S]]
-	[[Category: Goldberg~~, D R]]~~	+	[[Category: Goldberg DR]]
-	~~[[Category: Lombaert, S De~~]]	+	[[Category: Stein AJ]]
-	[[Category: Stein~~, A J]]~~	+
-	~~[[Category: Acyl]]~~	+
-	~~[[Category: Iron]]~~	+
-	~~[[Category: Oxidoreductase-inhibitor complex]]~~	+
-	~~[[Category: Quanidine]]~~	+
-	~~[[Category: Tph1~~]]	+

OCA at 07:31, 10 June 2020

OCA — Wed, 10 Jun 2020 07:31:10 GMT

←Older revision		Revision as of 07:31, 10 June 2020
Line 1:		Line 1:

	==Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors==		==Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors==
-	<StructureSection load='5j6d' size='340' side='right' caption='[[5j6d]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='5j6d' size='340' side='right'caption='[[5j6d]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5j6d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J6D OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5J6D FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5j6d]] 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=5J6D OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5J6D FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6H5:4-[(N-{[2-(3-METHOXYPHENOXY)-6-(PIPERIDIN-1-YL)PHENYL]METHYL}CARBAMIMIDOYL)CARBAMOYL]-L-PHENYLALANINE'>6H5</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6H5:4-[(N-{[2-(3-METHOXYPHENOXY)-6-(PIPERIDIN-1-YL)PHENYL]METHYL}CARBAMIMIDOYL)CARBAMOYL]-L-PHENYLALANINE'>6H5</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TPH1, TPH, TPRH, TRPH ([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/Tryptophan_5-monooxygenase Tryptophan 5-monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.16.4 1.14.16.4] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Tryptophan_5-monooxygenase Tryptophan 5-monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.16.4 1.14.16.4] </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=5j6d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j6d OCA], [http://pdbe.org/5j6d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j6d RCSB], [http://www.ebi.ac.uk/pdbsum/5j6d PDBsum]</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=5j6d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j6d OCA], [http://pdbe.org/5j6d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j6d RCSB], [http://www.ebi.ac.uk/pdbsum/5j6d PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j6d ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 17:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 5j6d" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5j6d" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Hydroxylases 3D structures\|Hydroxylases 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Tryptophan 5-monooxygenase]]		[[Category: Tryptophan 5-monooxygenase]]
	[[Category: Goldberg, D R]]		[[Category: Goldberg, D R]]

OCA at 23:03, 1 June 2016

OCA — Wed, 01 Jun 2016 23:03:57 GMT

←Older revision		Revision as of 23:03, 1 June 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5j6d is ~~ON HOLD~~	+	==Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors==
		+	<StructureSection load='5j6d' size='340' side='right' caption='[[5j6d]], [[Resolution\|resolution]] 1.90Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5j6d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J6D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5J6D FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6H5:4-[(N-{[2-(3-METHOXYPHENOXY)-6-(PIPERIDIN-1-YL)PHENYL]METHYL}CARBAMIMIDOYL)CARBAMOYL]-L-PHENYLALANINE'>6H5</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Tryptophan_5-monooxygenase Tryptophan 5-monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.16.4 1.14.16.4] </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=5j6d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j6d OCA], [http://pdbe.org/5j6d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j6d RCSB], [http://www.ebi.ac.uk/pdbsum/5j6d PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	An increasing number of diseases have been linked to a dysfunctional peripheral serotonin system. Given that tryptophan hydroxylase 1 (TPH1) is the rate limiting enzyme in the biosynthesis off serotonin, it represents an attractive target to regulate peripheral serotonin. Following up to our first disclosure, we report a new chemotype of TPH1 inhibitors where-by the more common central planar heterocycle has been replaced with an open-chain, acyl guanidine surrogate. Through our work, we found that compounds of this nature provide highly potent TPH1 inhibitors with favorable physicochemical properties that were effective in reducing murine intestinal 5-HT in vivo. Furthermore, we obtained a high resolution (1.90A) X-ray structure crystal structure of one of these inhibitors (compound 51) that elucidated the active conformation along with revealing a dimeric form of TPH1 for the first time.

-	~~Authors~~:	+	Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors.,Goldberg DR, De Lombaert S, Aiello R, Bourassa P, Barucci N, Zhang Q, Paralkar V, Stein AJ, Valentine J, Zavadoski W Bioorg Med Chem Lett. 2016 Jun 15;26(12):2855-60. doi:, 10.1016/j.bmcl.2016.04.057. Epub 2016 Apr 21. PMID:27146606<ref>PMID:27146606</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5j6d" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Tryptophan 5-monooxygenase]]
		+	[[Category: Goldberg, D R]]
		+	[[Category: Lombaert, S De]]
		+	[[Category: Stein, A J]]
		+	[[Category: Acyl]]
		+	[[Category: Iron]]
		+	[[Category: Oxidoreductase-inhibitor complex]]
		+	[[Category: Quanidine]]
		+	[[Category: Tph1]]

OCA at 15:06, 15 May 2016

OCA — Sun, 15 May 2016 15:06:13 GMT

←Older revision		Revision as of 15:06, 15 May 2016
Line 3:		Line 3:
	The entry 5j6d is ON HOLD		The entry 5j6d is ON HOLD

-	Authors: ~~Stein, A.J., Goldberg, D.R., De Lombaert, S.~~	+	Authors:

	Description:		Description:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Goldberg, D.R]]
-	[[Category: Stein, A.J]]
-	[[Category: De Lombaert, S]]

OCA: Protected "5j6d" [edit=sysop:move=sysop]

OCA — Wed, 11 May 2016 01:33:28 GMT

Protected "5j6d" [edit=sysop:move=sysop]

←Older revision

Revision as of 01:33, 11 May 2016

OCA: New page: '''Unreleased structure''' The entry 5j6d is ON HOLD Authors: Stein, A.J., Goldberg, D.R., De Lombaert, S. Description: Category: Unreleased Structures Category: Goldberg, D.R...

OCA — Wed, 11 May 2016 01:33:26 GMT

New page: '''Unreleased structure''' The entry 5j6d is ON HOLD Authors: Stein, A.J., Goldberg, D.R., De Lombaert, S. Description: Category: Unreleased Structures Category: Goldberg, D.R...

New page

'''Unreleased structure'''

The entry 5j6d is ON HOLD

Authors: Stein, A.J., Goldberg, D.R., De Lombaert, S.

Description:
[[Category: Unreleased Structures]]
[[Category: Goldberg, D.R]]
[[Category: Stein, A.J]]
[[Category: De Lombaert, S]]