6i6p - Revision history

OCA at 08:35, 24 July 2019

OCA — Wed, 24 Jul 2019 08:35:53 GMT

←Older revision		Revision as of 08:35, 24 July 2019
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	<StructureSection load='6i6p' size='340' side='right'caption='[[6i6p]], [[Resolution\|resolution]] 1.62Å' scene=''>		<StructureSection load='6i6p' size='340' side='right'caption='[[6i6p]], [[Resolution\|resolution]] 1.62Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6i6p]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I6P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I6P FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6i6p]] 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=6I6P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I6P FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=H4T:6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone'>H4T</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=H4T:6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone'>H4T</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SPR ([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/Sepiapterin_reductase_(L-erythro-7,8-dihydrobiopterin_forming) Sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.153 1.1.1.153] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sepiapterin_reductase_(L-erythro-7,8-dihydrobiopterin_forming) Sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.153 1.1.1.153] </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=6i6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i6p OCA], [http://pdbe.org/6i6p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i6p RCSB], [http://www.ebi.ac.uk/pdbsum/6i6p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i6p 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=6i6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i6p OCA], [http://pdbe.org/6i6p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i6p RCSB], [http://www.ebi.ac.uk/pdbsum/6i6p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i6p ProSAT]</span></td></tr>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Alen, J]]		[[Category: Alen, J]]

OCA at 05:44, 10 July 2019

OCA — Wed, 10 Jul 2019 05:44:04 GMT

←Older revision		Revision as of 05:44, 10 July 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6i6p is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3==
		+	<StructureSection load='6i6p' size='340' side='right'caption='[[6i6p]], [[Resolution\|resolution]] 1.62Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6i6p]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I6P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I6P FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=H4T:6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone'>H4T</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sepiapterin_reductase_(L-erythro-7,8-dihydrobiopterin_forming) Sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.153 1.1.1.153] </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=6i6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i6p OCA], [http://pdbe.org/6i6p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i6p RCSB], [http://www.ebi.ac.uk/pdbsum/6i6p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i6p ProSAT]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/SPRE_HUMAN SPRE_HUMAN]] Defects in SPR are the cause of dystonia DOPA-responsive due to sepiapterin reductase deficiency (DRDSPRD) [MIM:[http://omim.org/entry/612716 612716]]. In the majority of cases, patients manifest progressive psychomotor retardation, dystonia and spasticity. Cognitive anomalies are also often present. The disease is due to severe dopamine and serotonin deficiencies in the central nervous system caused by a defect in BH4 synthesis. Dystonia is defined by the presence of sustained involuntary muscle contractions, often leading to abnormal postures.<ref>PMID:11443547</ref> <ref>PMID:16650784</ref> <ref>PMID:17159114</ref>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/SPRE_HUMAN SPRE_HUMAN]] Catalyzes the final one or two reductions in tetra-hydrobiopterin biosynthesis to form 5,6,7,8-tetrahydrobiopterin.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Genome-wide-association studies in chronic low back pain patients identified sepiapterin reductase as a high interest target for developing new analgesics. Here we used (19)F NMR fragment screening for the discovery of novel, ligand-efficient SPR inhibitors. We report the crystal structures of six chemically diverse inhibitors complexed with SPR, identifying relevant interactions and binding modes in the sepiapterin pocket. Exploration of our initial fragment screening hit led to double-digit nanomolar inhibitors of SPR with excellent ligand efficiency.

-	~~Authors: Alen~~, J., Schade, M., Wagener, M., ~~Blaesse~~, M.	+	Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.,Alen J, Schade M, Wagener M, Christian F, Nordhoff S, Merla B, Dunkern TR, Bahrenberg G, Ratcliffe P J Med Chem. 2019 Jun 25. doi: 10.1021/acs.jmedchem.9b00218. PMID:31244106<ref>PMID:31244106</ref>

-	~~Description~~: ~~SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6i6p" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Alen, J]]
		+	[[Category: Blaesse, M]]
	[[Category: Schade, M]]		[[Category: Schade, M]]
	[[Category: Wagener, M]]		[[Category: Wagener, M]]
-	[[Category: ~~Blaesse, M~~]]	+	[[Category: Oxidoreductase]]
-	[[Category: ~~Alen, J~~]]	+	[[Category: Proteros biostructures gmbh]]
		+	[[Category: Sepiapterin-reductase]]

OCA at 04:54, 21 February 2019

OCA — Thu, 21 Feb 2019 04:54:12 GMT

←Older revision		Revision as of 04:54, 21 February 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6i6p is ON HOLD	+	The entry 6i6p is ON HOLD until Paper Publication

	Authors: Alen, J., Schade, M., Wagener, M., Blaesse, M.		Authors: Alen, J., Schade, M., Wagener, M., Blaesse, M.

OCA at 06:23, 19 December 2018

OCA — Wed, 19 Dec 2018 06:23:34 GMT

←Older revision		Revision as of 06:23, 19 December 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6i6p is ON HOLD ~~until sometime in the future~~	+	The entry 6i6p is ON HOLD

-	Authors: Alen, J., Schade, M., Wagener, M.	+	Authors: Alen, J., Schade, M., Wagener, M., Blaesse, M.

-	Description: SEPIAPTERIN REDUCTASE IN COMPLEX WITH ~~LIGAND GRT1033054-0~~	+	Description: SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Schade, M]]
	[[Category: Wagener, M]]		[[Category: Wagener, M]]
		+	[[Category: Blaesse, M]]
	[[Category: Alen, J]]		[[Category: Alen, J]]
-	[[Category: Schade, M]]

OCA: Protected "6i6p" [edit=sysop:move=sysop]

OCA — Sun, 02 Dec 2018 18:39:34 GMT

Protected "6i6p" [edit=sysop:move=sysop]

←Older revision

Revision as of 18:39, 2 December 2018

OCA: New page: '''Unreleased structure''' The entry 6i6p is ON HOLD until sometime in the future Authors: Alen, J., Schade, M., Wagener, M. Description: SEPIAPTERIN REDUCTASE IN COMPLEX WITH LIGAND G...

OCA — Sun, 02 Dec 2018 18:39:32 GMT

New page: '''Unreleased structure''' The entry 6i6p is ON HOLD until sometime in the future Authors: Alen, J., Schade, M., Wagener, M. Description: SEPIAPTERIN REDUCTASE IN COMPLEX WITH LIGAND G...

New page

'''Unreleased structure'''

The entry 6i6p is ON HOLD until sometime in the future

Authors: Alen, J., Schade, M., Wagener, M.

Description: SEPIAPTERIN REDUCTASE IN COMPLEX WITH LIGAND GRT1033054-0
[[Category: Unreleased Structures]]
[[Category: Wagener, M]]
[[Category: Alen, J]]
[[Category: Schade, M]]