6wuw - Revision history

OCA at 14:36, 18 October 2023

OCA — Wed, 18 Oct 2023 14:36:47 GMT

←Older revision		Revision as of 14:36, 18 October 2023
Line 3:		Line 3:
	<StructureSection load='6wuw' size='340' side='right'caption='[[6wuw]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='6wuw' size='340' side='right'caption='[[6wuw]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6wuw]] 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=6WUW OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6WUW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6wuw]] 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=6WUW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6WUW FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MYR:MYRISTIC+ACID'>MYR</scene>, <scene name='pdbligand=OCA:OCTANOIC+ACID+(CAPRYLIC+ACID)'>OCA</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=UAY:7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione'>UAY</scene>, <scene name='pdbligand=UNL:UNKNOWN+LIGAND'>UNL</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]] 2.2Å</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=6wuw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wuw OCA], [~~http~~://pdbe.org/6wuw PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6wuw RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6wuw PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6wuw ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MYR:MYRISTIC+ACID'>MYR</scene>, <scene name='pdbligand=OCA:OCTANOIC+ACID+(CAPRYLIC+ACID)'>OCA</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=UAY:7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione'>UAY</scene>, <scene name='pdbligand=UNL:UNKNOWN+LIGAND'>UNL</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=6wuw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wuw OCA], [https://pdbe.org/6wuw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6wuw RCSB], [https://www.ebi.ac.uk/pdbsum/6wuw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6wuw ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
-	[~~[http~~://www.uniprot.org/uniprot/ALBU_HUMAN ALBU_HUMAN]] Defects in ALB are a cause of familial dysalbuminemic hyperthyroxinemia (FDH) [MIM:[~~http~~://omim.org/entry/103600 103600]]. FDH is a form of euthyroid hyperthyroxinemia that is due to increased affinity of ALB for T(4). It is the most common cause of inherited euthyroid hyperthyroxinemia in Caucasian population.<ref>PMID:8048949</ref> <ref>PMID:7852505</ref> <ref>PMID:9329347</ref> <ref>PMID:9589637</ref>	+	[https://www.uniprot.org/uniprot/ALBU_HUMAN ALBU_HUMAN] Defects in ALB are a cause of familial dysalbuminemic hyperthyroxinemia (FDH) [MIM:[https://omim.org/entry/103600 103600]. FDH is a form of euthyroid hyperthyroxinemia that is due to increased affinity of ALB for T(4). It is the most common cause of inherited euthyroid hyperthyroxinemia in Caucasian population.<ref>PMID:8048949</ref> <ref>PMID:7852505</ref> <ref>PMID:9329347</ref> <ref>PMID:9589637</ref>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ALBU_HUMAN ALBU_HUMAN]] Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloidal osmotic pressure of blood. Major zinc transporter in plasma, typically binds about 80% of all plasma zinc.<ref>PMID:19021548</ref>	+	[https://www.uniprot.org/uniprot/ALBU_HUMAN ALBU_HUMAN] Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloidal osmotic pressure of blood. Major zinc transporter in plasma, typically binds about 80% of all plasma zinc.<ref>PMID:19021548</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 29:		Line 30:
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Structural genomic]]~~	+	[[Category: Cooper DR]]
-	[[Category: Cooper~~, D R~~]]	+	[[Category: Czub MP]]
-	[[Category: Czub~~, M P~~]]	+	[[Category: Lazo JS]]
-	[[Category: Lazo~~, J S~~]]	+	[[Category: Minor W]]
-	[[Category: Minor, W]]	+	[[Category: Shabalin IG]]
-	[[Category: Shabalin~~, I G]]~~	+
-	~~[[Category: Albumin]]~~	+
-	~~[[Category: Csgid]]~~	+
-	~~[[Category: Drug transport]]~~	+
-	~~[[Category: Hsa]]~~	+
-	~~[[Category: Jms-053]]~~	+
-	~~[[Category: Transport protein~~]]	+

OCA at 07:10, 25 November 2020

OCA — Wed, 25 Nov 2020 07:10:44 GMT

←Older revision		Revision as of 07:10, 25 November 2020
Line 11:		Line 11:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/ALBU_HUMAN ALBU_HUMAN]] Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloidal osmotic pressure of blood. Major zinc transporter in plasma, typically binds about 80% of all plasma zinc.<ref>PMID:19021548</ref>		[[http://www.uniprot.org/uniprot/ALBU_HUMAN ALBU_HUMAN]] Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloidal osmotic pressure of blood. Major zinc transporter in plasma, typically binds about 80% of all plasma zinc.<ref>PMID:19021548</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Protein tyrosine phosphatase (PTP) 4A3 is frequently overexpressed in human solid tumors and hematologic malignancies and is associated with tumor cell invasion, metastasis, and a poor patient prognosis. Several potent, selective, and allosteric small molecule inhibitors of PTP4A3 were recently identified. A lead compound in the series, JMS-053 (7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione), has a long plasma half-life ( approximately 24 hours) in mice, suggesting possible binding to serum components. We confirmed by isothermal titration calorimetry that JMS-053 binds to human serum albumin. A single JMS-053 binding site was identified by X-ray crystallography in human serum albumin at drug site 3, which is also known as subdomain IB. The binding of JMS-053 to human serum albumin, however, did not markedly alter the overall albumin structure. In the presence of serum albumin, the potency of JMS-053 as an in vitro inhibitor of PTP4A3 and human A2780 ovarian cancer cell growth was reduced. The reversible binding of JMS-053 to serum albumin may serve to increase JMS-053's plasma half-life and thus extend the delivery of the compound to tumors. SIGNIFICANCE STATEMENT: X-ray crystallography revealed that a potent, reversible, first-in-class small molecule inhibitor of the oncogenic phosphatase protein tyrosine phosphatase 4A3 binds to at least one site on human serum albumin, which is likely to extend the compound's plasma half-life and thus assist in drug delivery into tumors.
		+
		+	Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin.,Czub MP, Boulton AM, Rastelli EJ, Tasker NR, Maskrey TS, Blanco IK, McQueeney KE, Bushweller JH, Minor W, Wipf P, Sharlow ER, Lazo JS Mol Pharmacol. 2020 Dec;98(6):648-657. doi: 10.1124/molpharm.120.000131. Epub, 2020 Sep 25. PMID:32978326<ref>PMID:32978326</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6wuw" style="background-color:#fffaf0;"></div>

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

OCA at 05:58, 5 August 2020

OCA — Wed, 05 Aug 2020 05:58:52 GMT

←Older revision		Revision as of 05:58, 5 August 2020
Line 1:		Line 1:

	==Crystal structure of Human Serum Albumin complex with JMS-053==		==Crystal structure of Human Serum Albumin complex with JMS-053==
-	<StructureSection load='6wuw' size='340' side='right'caption='[[6wuw]]' scene=''>	+	<StructureSection load='6wuw' size='340' side='right'caption='[[6wuw]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6WUW OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6WUW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6wuw]] 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=6WUW OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6WUW FirstGlance]. <br>
-	</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=6wuw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wuw OCA], [http://pdbe.org/6wuw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6wuw RCSB], [http://www.ebi.ac.uk/pdbsum/6wuw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6wuw ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MYR:MYRISTIC+ACID'>MYR</scene>, <scene name='pdbligand=OCA:OCTANOIC+ACID+(CAPRYLIC+ACID)'>OCA</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=UAY:7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione'>UAY</scene>, <scene name='pdbligand=UNL:UNKNOWN+LIGAND'>UNL</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=6wuw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wuw OCA], [http://pdbe.org/6wuw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6wuw RCSB], [http://www.ebi.ac.uk/pdbsum/6wuw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6wuw ProSAT]</span></td></tr>
	</table>		</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/ALBU_HUMAN ALBU_HUMAN]] Defects in ALB are a cause of familial dysalbuminemic hyperthyroxinemia (FDH) [MIM:[http://omim.org/entry/103600 103600]]. FDH is a form of euthyroid hyperthyroxinemia that is due to increased affinity of ALB for T(4). It is the most common cause of inherited euthyroid hyperthyroxinemia in Caucasian population.<ref>PMID:8048949</ref> <ref>PMID:7852505</ref> <ref>PMID:9329347</ref> <ref>PMID:9589637</ref>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ALBU_HUMAN ALBU_HUMAN]] Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloidal osmotic pressure of blood. Major zinc transporter in plasma, typically binds about 80% of all plasma zinc.<ref>PMID:19021548</ref>
		+
		+	==See Also==
		+	*[[Albumin 3D structures\|Albumin 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cooper DR]]	+	[[Category: Structural genomic]]
-	[[Category: Czub MP]]	+	[[Category: Cooper, D R]]
-	[[Category: Lazo JS]]	+	[[Category: Czub, M P]]
-	[[Category: Minor W]]	+	[[Category: Lazo, J S]]
-	[[Category: Shabalin IG]]	+	[[Category: Minor, W]]
		+	[[Category: Shabalin, I G]]
		+	[[Category: Albumin]]
		+	[[Category: Csgid]]
		+	[[Category: Drug transport]]
		+	[[Category: Hsa]]
		+	[[Category: Jms-053]]
		+	[[Category: Transport protein]]

OCA at 05:51, 20 May 2020

OCA — Wed, 20 May 2020 05:51:47 GMT

←Older revision		Revision as of 05:51, 20 May 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6wuw ~~is ON HOLD~~	+	==Crystal structure of Human Serum Albumin complex with JMS-053==
-		+	<StructureSection load='6wuw' size='340' side='right'caption='[[6wuw]]' scene=''>
-	~~Authors~~: ~~Czub, M~~.P.~~, Cooper, D~~.R., ~~Shabalin, I~~.G., ~~Lazo~~, J.S., ~~Minor, W~~., ~~Center for Structural Genomics of Infectious Diseases (CSGID)~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6WUW OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6WUW FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure of Human Serum Albumin complex with JMS~~-~~053~~	+	</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=6wuw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wuw OCA], [http://pdbe.org/6wuw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6wuw RCSB], [http://www.ebi.ac.uk/pdbsum/6wuw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6wuw ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Lazo, J.S]]~~	+	__TOC__
-	~~[[Category: Shabalin, I.G~~]]	+	</StructureSection>
-	[[Category: Czub~~, M.P~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Center For Structural Genomics Of Infectious Diseases (Csgid)~~]]	+	[[Category: Cooper DR]]
-	[[Category: ~~Cooper, D.R~~]]	+	[[Category: Czub MP]]
-	[[Category: ~~Minor, W~~]]	+	[[Category: Lazo JS]]
		+	[[Category: Minor W]]
		+	[[Category: Shabalin IG]]

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

OCA — Wed, 13 May 2020 04:10:03 GMT

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

←Older revision

Revision as of 04:10, 13 May 2020

OCA: New page: '''Unreleased structure''' The entry 6wuw is ON HOLD Authors: Czub, M.P., Cooper, D.R., Shabalin, I.G., Lazo, J.S., Minor, W., Center for Structural Genomics of Infectious Diseases (CSG...

OCA — Wed, 13 May 2020 04:10:02 GMT

New page: '''Unreleased structure''' The entry 6wuw is ON HOLD Authors: Czub, M.P., Cooper, D.R., Shabalin, I.G., Lazo, J.S., Minor, W., Center for Structural Genomics of Infectious Diseases (CSG...

New page

'''Unreleased structure'''

The entry 6wuw is ON HOLD

Authors: Czub, M.P., Cooper, D.R., Shabalin, I.G., Lazo, J.S., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)

Description: Crystal structure of Human Serum Albumin complex with JMS-053
[[Category: Unreleased Structures]]
[[Category: Lazo, J.S]]
[[Category: Shabalin, I.G]]
[[Category: Czub, M.P]]
[[Category: Center For Structural Genomics Of Infectious Diseases (Csgid)]]
[[Category: Cooper, D.R]]
[[Category: Minor, W]]