5edc - Revision history

OCA at 06:21, 5 July 2023

2023-07-05T06:21:59Z

←Older revision		Revision as of 06:21, 5 July 2023
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	<StructureSection load='5edc' size='340' side='right'caption='[[5edc]], [[Resolution\|resolution]] 1.29Å' scene=''>		<StructureSection load='5edc' size='340' side='right'caption='[[5edc]], [[Resolution\|resolution]] 1.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5edc]] is a 1 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=5EDC OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5EDC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5edc]] is a 1 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=5EDC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5EDC FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5M7:6-CHLORANYL-4-PHENYL-2-PIPERIDIN-1-YL-QUINOLINE-3-CARBOXYLIC+ACID'>5M7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.29Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FABP4 ([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=5M7:6-CHLORANYL-4-PHENYL-2-PIPERIDIN-1-YL-QUINOLINE-3-CARBOXYLIC+ACID'>5M7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=5edc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5edc OCA], [~~http~~://pdbe.org/5edc PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5edc RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5edc PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5edc 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=5edc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5edc OCA], [https://pdbe.org/5edc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5edc RCSB], [https://www.ebi.ac.uk/pdbsum/5edc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5edc ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/FABP4_HUMAN FABP4_HUMAN]] Lipid transport protein in adipocytes. Binds both long chain fatty acids and retinoic acid. Delivers long-chain fatty acids and retinoic acid to their cognate receptors in the nucleus (By similarity).	+	[https://www.uniprot.org/uniprot/FABP4_HUMAN FABP4_HUMAN] Lipid transport protein in adipocytes. Binds both long chain fatty acids and retinoic acid. Delivers long-chain fatty acids and retinoic acid to their cognate receptors in the nucleus (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ehler, A]]	+	[[Category: Ehler A]]
-	[[Category: Rudolph~~, M G]]~~	+	[[Category: Rudolph MG]]
-	~~[[Category: Cytoplasm]]~~	+
-	~~[[Category: Fatty acid binding protein]]~~	+
-	~~[[Category: Lipid binding protein]]~~	+
-	~~[[Category: Lipid-binding]]~~	+
-	~~[[Category: Protein binding]]~~	+
-	~~[[Category: Transport~~]]	+

OCA at 06:54, 22 April 2020

2020-04-22T06:54:16Z

←Older revision		Revision as of 06:54, 22 April 2020
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	==human FABP4 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid at 1.29A==		==human FABP4 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid at 1.29A==
-	<StructureSection load='5edc' size='340' side='right' caption='[[5edc]], [[Resolution\|resolution]] 1.29Å' scene=''>	+	<StructureSection load='5edc' size='340' side='right'caption='[[5edc]], [[Resolution\|resolution]] 1.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5edc]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EDC OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5EDC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5edc]] is a 1 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=5EDC OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5EDC FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5M7:6-CHLORANYL-4-PHENYL-2-PIPERIDIN-1-YL-QUINOLINE-3-CARBOXYLIC+ACID'>5M7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5M7:6-CHLORANYL-4-PHENYL-2-PIPERIDIN-1-YL-QUINOLINE-3-CARBOXYLIC+ACID'>5M7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=5edc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5edc OCA], [http://pdbe.org/5edc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5edc RCSB], [http://www.ebi.ac.uk/pdbsum/5edc PDBsum]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FABP4 ([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://proteopedia.org/fgij/fg.htm?mol=5edc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5edc OCA], [http://pdbe.org/5edc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5edc RCSB], [http://www.ebi.ac.uk/pdbsum/5edc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5edc ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	</div>		</div>
	<div class="pdbe-citations 5edc" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5edc" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Fatty acid-binding protein 3D structures\|Fatty acid-binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Ehler, A]]		[[Category: Ehler, A]]
	[[Category: Rudolph, M G]]		[[Category: Rudolph, M G]]

OCA at 03:37, 10 March 2016

2016-03-10T03:37:28Z

←Older revision		Revision as of 03:37, 10 March 2016
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-	'''Unreleased structure'''

-	~~The entry~~ 5edc is ~~ON HOLD~~	+	==human FABP4 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid at 1.29A==
		+	<StructureSection load='5edc' size='340' side='right' caption='[[5edc]], [[Resolution\|resolution]] 1.29Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5edc]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EDC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EDC FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5M7:6-CHLORANYL-4-PHENYL-2-PIPERIDIN-1-YL-QUINOLINE-3-CARBOXYLIC+ACID'>5M7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=5edc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5edc OCA], [http://pdbe.org/5edc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5edc RCSB], [http://www.ebi.ac.uk/pdbsum/5edc PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/FABP4_HUMAN FABP4_HUMAN]] Lipid transport protein in adipocytes. Binds both long chain fatty acids and retinoic acid. Delivers long-chain fatty acids and retinoic acid to their cognate receptors in the nucleus (By similarity).
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We present a series of small molecule drug discovery case studies where computational methods were prospectively employed to impact Roche research projects, with the aim of highlighting those methods that provide real added value. Our brief accounts encompass a broad range of methods and techniques applied to a variety of enzymes and receptors. Most of these are based on judicious application of knowledge about molecular conformations and interactions: filling of lipophilic pockets to gain affinity or selectivity, addition of polar substituents, scaffold hopping, transfer of SAR, conformation analysis, and molecular overlays. A case study of sequence-driven focused screening is presented to illustrate how appropriate preprocessing of information enables effective exploitation of prior knowledge. We conclude that qualitative statements enabling chemists to focus on promising regions of chemical space are often more impactful than quantitative prediction.

-	~~Authors: Rudolph, M.G~~., ~~Ehler~~, A.	+	A Real-World Perspective on Molecular Design.,Kuhn B, Guba W, Hert J, Banner D, Bissantz C, Ceccarelli S, Haap W, Korner M, Kuglstatter A, Lerner C, Mattei P, Neidhart W, Pinard E, Rudolph MG, Schulz-Gasch T, Woltering T, Stahl M J Med Chem. 2016 Feb 24. PMID:26878596<ref>PMID:26878596</ref>

-	~~Description: human FABP4 in complex with 6~~-~~Chloro~~-~~4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid at 1.29A~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 5edc" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Ehler, A]]		[[Category: Ehler, A]]
-	[[Category: Rudolph, M.G]]	+	[[Category: Rudolph, M G]]
		+	[[Category: Cytoplasm]]
		+	[[Category: Fatty acid binding protein]]
		+	[[Category: Lipid binding protein]]
		+	[[Category: Lipid-binding]]
		+	[[Category: Protein binding]]
		+	[[Category: Transport]]

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

2015-12-01T02:40:52Z

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

←Older revision

Revision as of 02:40, 1 December 2015

OCA: New page: '''Unreleased structure''' The entry 5edc is ON HOLD Authors: Rudolph, M.G., Ehler, A. Description: human FABP4 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxyli...

2015-12-01T02:40:51Z

New page: '''Unreleased structure''' The entry 5edc is ON HOLD Authors: Rudolph, M.G., Ehler, A. Description: human FABP4 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxyli...

New page

'''Unreleased structure'''

The entry 5edc is ON HOLD

Authors: Rudolph, M.G., Ehler, A.

Description: human FABP4 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid at 1.29A
[[Category: Unreleased Structures]]
[[Category: Ehler, A]]
[[Category: Rudolph, M.G]]