6yf3 - Revision history

OCA at 13:25, 24 January 2024

2024-01-24T13:25:25Z

←Older revision		Revision as of 13:25, 24 January 2024
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	<StructureSection load='6yf3' size='340' side='right'caption='[[6yf3]], [[Resolution\|resolution]] 1.00Å' scene=''>		<StructureSection load='6yf3' size='340' side='right'caption='[[6yf3]], [[Resolution\|resolution]] 1.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6yf3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YF3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YF3 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6yf3]] 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=6YF3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YF3 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=OOZ:(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone'>OOZ</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]] 1Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6yf0\|6yf0]], [[6yf1\|6yf1]], [[6yf2\|6yf2]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=OOZ:(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone'>OOZ</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FKBP1A, FKBP1, FKBP12 ([https://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'>[https://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=6yf3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yf3 OCA], [https://pdbe.org/6yf3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yf3 RCSB], [https://www.ebi.ac.uk/pdbsum/6yf3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yf3 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=6yf3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yf3 OCA], [https://pdbe.org/6yf3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yf3 RCSB], [https://www.ebi.ac.uk/pdbsum/6yf3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yf3 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/FKB1A_HUMAN FKB1A_HUMAN]] Keeps in an inactive conformation TGFBR1, the TGF-beta type I serine/threonine kinase receptor, preventing TGF-beta receptor activation in absence of ligand. Recruites SMAD7 to ACVR1B which prevents the association of SMAD2 and SMAD3 with the activin receptor complex, thereby blocking the activin signal. May modulate the RYR1 calcium channel activity. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.<ref>PMID:9233797</ref> <ref>PMID:16720724</ref>	+	[https://www.uniprot.org/uniprot/FKB1A_HUMAN FKB1A_HUMAN] Keeps in an inactive conformation TGFBR1, the TGF-beta type I serine/threonine kinase receptor, preventing TGF-beta receptor activation in absence of ligand. Recruites SMAD7 to ACVR1B which prevents the association of SMAD2 and SMAD3 with the activin receptor complex, thereby blocking the activin signal. May modulate the RYR1 calcium channel activity. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.<ref>PMID:9233797</ref> <ref>PMID:16720724</ref>
	<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: Peptidylprolyl isomerase]]~~	+	[[Category: Kallen J]]
-	[[Category: Kallen, J]]	+
-	~~[[Category: Bmp enhancer program]]~~	+
-	~~[[Category: Immunosuppressant]]~~	+
-	~~[[Category: Immunosuppression]]~~	+
-	~~[[Category: Isomerase~~]]	+

OCA at 08:56, 29 September 2021

2021-09-29T08:56:44Z

←Older revision		Revision as of 08:56, 29 September 2021
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	</div>		</div>
	<div class="pdbe-citations 6yf3" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6yf3" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[FKBP 3D structures\|FKBP 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:01, 5 May 2021

2021-05-05T09:01:06Z

←Older revision		Revision as of 09:01, 5 May 2021
Line 1:		Line 1:

	==FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution==		==FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution==
-	<StructureSection load='6yf3' size='340' side='right'caption='[[6yf3]]' scene=''>	+	<StructureSection load='6yf3' size='340' side='right'caption='[[6yf3]], [[Resolution\|resolution]] 1.00Å' 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=6YF3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YF3 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6yf3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YF3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YF3 FirstGlance]. <br>
-	</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=6yf3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yf3 OCA], [https://pdbe.org/6yf3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yf3 RCSB], [https://www.ebi.ac.uk/pdbsum/6yf3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yf3 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=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=OOZ:(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone'>OOZ</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6yf0\|6yf0]], [[6yf1\|6yf1]], [[6yf2\|6yf2]]</div></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FKBP1A, FKBP1, FKBP12 ([https://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'>[https://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=6yf3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yf3 OCA], [https://pdbe.org/6yf3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yf3 RCSB], [https://www.ebi.ac.uk/pdbsum/6yf3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yf3 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/FKB1A_HUMAN FKB1A_HUMAN]] Keeps in an inactive conformation TGFBR1, the TGF-beta type I serine/threonine kinase receptor, preventing TGF-beta receptor activation in absence of ligand. Recruites SMAD7 to ACVR1B which prevents the association of SMAD2 and SMAD3 with the activin receptor complex, thereby blocking the activin signal. May modulate the RYR1 calcium channel activity. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.<ref>PMID:9233797</ref> <ref>PMID:16720724</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Acute kidney injury (AKI) is a life-threatening disease with no known curative or preventive therapies. Data from multiple animal models and human studies have linked dysregulation of bone morphogenetic protein (BMP) signaling to AKI. Small molecules that potentiate endogenous BMP signaling should have a beneficial effect in AKI. We performed a high-throughput phenotypic screen and identified a series of FK506 analogs that act as potent BMP potentiators by sequestering FKBP12 from BMP type I receptors. We further showed that calcineurin inhibition was not required for this activity. We identified a calcineurin-sparing FK506 analog oxtFK through late-stage functionalization and structure-guided design. OxtFK demonstrated an improved safety profile in vivo relative to FK506. OxtFK stimulated BMP signaling in vitro and in vivo and protected the kidneys in an AKI mouse model, making it a promising candidate for future development as a first-in-class therapeutic for diseases with dysregulated BMP signaling.
		+
		+	Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.,Larraufie MH, Gao X, Xia X, Devine PJ, Kallen J, Liu D, Michaud G, Harsch A, Savage N, Ding J, Tan K, Mihalic M, Roggo S, Canham SM, Bushell SM, Krastel P, Gao J, Izaac A, Altinoglu E, Lustenberger P, Salcius M, Harbinski F, Williams ET, Zeng L, Loureiro J, Cong F, Fryer CJ, Klickstein L, Tallarico JA, Jain RK, Rothman DM, Wang S Cell Chem Biol. 2021 Apr 17. pii: S2451-9456(21)00156-2. doi:, 10.1016/j.chembiol.2021.04.001. PMID:33894161<ref>PMID:33894161</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6yf3" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Kallen J]]	+	[[Category: Peptidylprolyl isomerase]]
		+	[[Category: Kallen, J]]
		+	[[Category: Bmp enhancer program]]
		+	[[Category: Immunosuppressant]]
		+	[[Category: Immunosuppression]]
		+	[[Category: Isomerase]]

OCA at 17:15, 10 March 2021

2021-03-10T17:15:26Z

←Older revision		Revision as of 17:15, 10 March 2021
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-	'''Unreleased structure'''

-	~~The entry 6yf3 is ON HOLD until Paper Publication~~	+	==FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution==
-		+	<StructureSection load='6yf3' size='340' side='right'caption='[[6yf3]]' scene=''>
-	~~Authors: Kallen, J.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YF3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YF3 FirstGlance]. <br>
-	~~Description:~~ FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution	+	</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=6yf3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yf3 OCA], [https://pdbe.org/6yf3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yf3 RCSB], [https://www.ebi.ac.uk/pdbsum/6yf3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yf3 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Kallen, J]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Kallen J]]

OCA: Protected "6yf3" [edit=sysop:move=sysop]

2020-04-01T07:47:05Z

Protected "6yf3" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:47, 1 April 2020

OCA: New page: '''Unreleased structure''' The entry 6yf3 is ON HOLD until Paper Publication Authors: Kallen, J. Description: FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution...

2020-04-01T07:47:04Z

New page: '''Unreleased structure''' The entry 6yf3 is ON HOLD until Paper Publication Authors: Kallen, J. Description: FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution...

New page

'''Unreleased structure'''

The entry 6yf3 is ON HOLD until Paper Publication

Authors: Kallen, J.

Description: FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution
[[Category: Unreleased Structures]]
[[Category: Kallen, J]]