7ba0 - Revision history

OCA at 12:24, 1 February 2024

OCA — Thu, 01 Feb 2024 12:24:30 GMT

←Older revision		Revision as of 12:24, 1 February 2024
Line 3:		Line 3:
	<StructureSection load='7ba0' size='340' side='right'caption='[[7ba0]], [[Resolution\|resolution]] 1.14Å' scene=''>		<StructureSection load='7ba0' size='340' side='right'caption='[[7ba0]], [[Resolution\|resolution]] 1.14Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7ba0]] 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=7BA0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BA0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7ba0]] 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=7BA0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BA0 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=T5H:2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione'>T5H</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]] 1.14Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FKBP5, AIG6, FKBP51 ([https://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=T5H:2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione'>T5H</scene></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=7ba0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ba0 OCA], [https://pdbe.org/7ba0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ba0 RCSB], [https://www.ebi.ac.uk/pdbsum/7ba0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ba0 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=7ba0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ba0 OCA], [https://pdbe.org/7ba0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ba0 RCSB], [https://www.ebi.ac.uk/pdbsum/7ba0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ba0 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/FKBP5_HUMAN FKBP5_HUMAN]] Interacts with functionally mature heterooligomeric progesterone receptor complexes along with HSP90 and TEBP.	+	[https://www.uniprot.org/uniprot/FKBP5_HUMAN FKBP5_HUMAN] Interacts with functionally mature heterooligomeric progesterone receptor complexes along with HSP90 and TEBP.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 7ba0" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7ba0" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[FKBP 3D structures\|FKBP 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Peptidylprolyl isomerase]]~~	+	[[Category: Bauder M]]
-	[[Category: Bauder, M]]	+	[[Category: Hausch F]]
-	[[Category: Hausch, F]]	+	[[Category: Heymann T]]
-	[[Category: Heymann, T]]	+	[[Category: Merz S]]
-	[[Category: Merz, S]]	+	[[Category: Meyners C]]
-	[[Category: Meyners, C]]	+	[[Category: Purder P]]
-	[[Category: Purder, P]]	+	[[Category: Voll A]]
-	[[Category: Voll, A]]	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Fkbp]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Isomerase]]~~	+
-	~~[[Category: Safit~~]]	+

OCA at 07:10, 7 April 2021

OCA — Wed, 07 Apr 2021 07:10:35 GMT

←Older revision		Revision as of 07:10, 7 April 2021
Line 1:		Line 1:

	==Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 63==		==Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 63==
-	<StructureSection load='7ba0' size='340' side='right'caption='[[7ba0]]' scene=''>	+	<StructureSection load='7ba0' size='340' side='right'caption='[[7ba0]], [[Resolution\|resolution]] 1.14Å' 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=7BA0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BA0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7ba0]] 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=7BA0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BA0 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=7ba0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ba0 OCA], [https://pdbe.org/7ba0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ba0 RCSB], [https://www.ebi.ac.uk/pdbsum/7ba0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ba0 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=T5H:2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione'>T5H</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FKBP5, AIG6, FKBP51 ([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=7ba0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ba0 OCA], [https://pdbe.org/7ba0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ba0 RCSB], [https://www.ebi.ac.uk/pdbsum/7ba0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ba0 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/FKBP5_HUMAN FKBP5_HUMAN]] Interacts with functionally mature heterooligomeric progesterone receptor complexes along with HSP90 and TEBP.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The FK506-binding protein 51 (FKBP51) emerged as a key player in several diseases like stress-related disorders, chronic pain, and obesity. Linear analogues of FK506 called SAFit were shown to be highly selective for FKBP51 over its closest homologue FKBP52, allowing the proof-of-concept studies in animal models. Here, we designed and synthesized the first macrocyclic FKBP51-selective ligands to stabilize the active conformation. All macrocycles retained full FKBP51 affinity and selectivity over FKBP52 and the incorporation of polar functionalities further enhanced affinity. Six high-resolution crystal structures of macrocyclic inhibitors in complex with FKBP51 confirmed the desired selectivity-enabling binding mode. Our results show that macrocyclization is a viable strategy to target the shallow FKBP51 binding site selectively.
		+
		+	Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.,Bauder M, Meyners C, Purder PL, Merz S, Sugiarto WO, Voll AM, Heymann T, Hausch F J Med Chem. 2021 Mar 5. doi: 10.1021/acs.jmedchem.0c02195. PMID:33666419<ref>PMID:33666419</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7ba0" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bauder M]]	+	[[Category: Peptidylprolyl isomerase]]
-	[[Category: Hausch F]]	+	[[Category: Bauder, M]]
-	[[Category: Heymann T]]	+	[[Category: Hausch, F]]
-	[[Category: Merz S]]	+	[[Category: Heymann, T]]
-	[[Category: Meyners C]]	+	[[Category: Merz, S]]
-	[[Category: Purder P]]	+	[[Category: Meyners, C]]
-	[[Category: Voll A]]	+	[[Category: Purder, P]]
		+	[[Category: Voll, A]]
		+	[[Category: Complex]]
		+	[[Category: Fkbp]]
		+	[[Category: Inhibitor]]
		+	[[Category: Isomerase]]
		+	[[Category: Safit]]

OCA at 06:45, 17 March 2021

OCA — Wed, 17 Mar 2021 06:45:17 GMT

←Older revision		Revision as of 06:45, 17 March 2021
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7ba0 is ~~ON HOLD until Paper Publication~~	+	==Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 63==
-		+	<StructureSection load='7ba0' size='340' side='right'caption='[[7ba0]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BA0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BA0 FirstGlance]. <br>
-	~~Description~~:	+	</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=7ba0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ba0 OCA], [https://pdbe.org/7ba0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ba0 RCSB], [https://www.ebi.ac.uk/pdbsum/7ba0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ba0 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Bauder M]]
		+	[[Category: Hausch F]]
		+	[[Category: Heymann T]]
		+	[[Category: Merz S]]
		+	[[Category: Meyners C]]
		+	[[Category: Purder P]]
		+	[[Category: Voll A]]

OCA: Protected "7ba0" [edit=sysop:move=sysop]

OCA — Thu, 24 Dec 2020 07:44:42 GMT

Protected "7ba0" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:44, 24 December 2020

OCA: New page: '''Unreleased structure''' The entry 7ba0 is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

OCA — Thu, 24 Dec 2020 07:44:41 GMT

New page: '''Unreleased structure''' The entry 7ba0 is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7ba0 is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]