OCA at 16:29, 29 November 2023

OCA — Wed, 29 Nov 2023 16:29:31 GMT

←Older revision		Revision as of 16:29, 29 November 2023
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-	====	+	==EPB in complex with tubulin==
-	<StructureSection load='7dae' size='340' side='right'caption='[[7dae]]' scene=''>	+	<StructureSection load='7dae' size='340' side='right'caption='[[7dae]], [[Resolution\|resolution]] 2.39Å' 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= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7dae]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus], [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus] and [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7DAE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7DAE 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=7dae FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7dae OCA], [https://pdbe.org/7dae PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7dae RCSB], [https://www.ebi.ac.uk/pdbsum/7dae PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7dae ProSAT]</span></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]] 2.394Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACP:PHOSPHOMETHYLPHOSPHONIC+ACID+ADENYLATE+ESTER'>ACP</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EPB:7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE'>EPB</scene>, <scene name='pdbligand=GDP:GUANOSINE-5-DIPHOSPHATE'>GDP</scene>, <scene name='pdbligand=GTP:GUANOSINE-5-TRIPHOSPHATE'>GTP</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=7dae FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7dae OCA], [https://pdbe.org/7dae PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7dae RCSB], [https://www.ebi.ac.uk/pdbsum/7dae PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7dae ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TBB_PIG TBB_PIG] Tubulin is the major constituent of microtubules. It binds two moles of GTP, one at an exchangeable site on the beta chain and one at a non-exchangeable site on the alpha chain.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Microtubule is a key component of cytoskeleton and has been considered as an important target for the treatment of cancer. In particular, the tubulin taxane-site inhibitors such as taxol analogs and epothilones have achieved great success in clinical trials. However, the structural basis of many taxane-site inhibitors is still lacking in exploring their mechanism of action. We here reported crystal complex structures for three taxane-site inhibitors, Ixabepilone, Epothilone B, and Epothilone D, which were determined to 2.4 A, 2.4 A, and 2.85 A, respectively. The crystal structures revealed that these taxane-site inhibitors possess similar binding modes to that of Epothilone A at the taxane site, e.g. making critical hydrogen-bonding interactions with multiple residues on the M-loop, which facilitating the tubulin polymerization. Furthermore, we summarized the binding modes of almost all taxane-site inhibitors and identified novel taxane-site ligands with simpler chemical structures through virtual screening. On this basis, new derivatives with higher binding affinity to tubulin were designed and developed, which can form additional hydrogen bond interactions with tubulin. Overall, this work determined the mechanism of action of epothilones and provided a structural basis to design reasonably novel taxane-site inhibitors with simpler structure and improved pharmacokinetic properties.
		+
		+	High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.,Xiao Q, Xue T, Shuai W, Wu C, Zhang Z, Zhang T, Zeng S, Sun B, Wang Y Biochem Biophys Res Commun. 2021 Jan 1;534:330-336. doi: , 10.1016/j.bbrc.2020.11.082. Epub 2020 Nov 30. PMID:33272565<ref>PMID:33272565</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7dae" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Stathmin-4 3D structures\|Stathmin-4 3D structures]]
		+	*[[Tubulin 3D Structures\|Tubulin 3D Structures]]
		+	*[[Tubulin tyrosine ligase\|Tubulin tyrosine ligase]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Gallus gallus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Z-disk~~]]	+	[[Category: Mus musculus]]
		+	[[Category: Sus scrofa]]
		+	[[Category: Wang Y]]
		+	[[Category: Wu C]]

OCA at 06:40, 24 March 2021

OCA — Wed, 24 Mar 2021 06:40:30 GMT

←Older revision		Revision as of 06:40, 24 March 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 7dae ~~is ON HOLD until Oct 16 2022~~	+	====
-		+	<StructureSection load='7dae' size='340' side='right'caption='[[7dae]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= 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=7dae FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7dae OCA], [https://pdbe.org/7dae PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7dae RCSB], [https://www.ebi.ac.uk/pdbsum/7dae PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7dae ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Z-disk]]

OCA at 05:20, 25 November 2020

OCA — Wed, 25 Nov 2020 05:20:40 GMT

←Older revision		Revision as of 05:20, 25 November 2020
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7dae is ON HOLD	+	The entry 7dae is ON HOLD until Oct 16 2022

	Authors:		Authors:

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

OCA — Wed, 21 Oct 2020 06:47:54 GMT

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

←Older revision

Revision as of 06:47, 21 October 2020

OCA: New page: '''Unreleased structure''' The entry 7dae is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 21 Oct 2020 06:47:52 GMT

New page: '''Unreleased structure''' The entry 7dae is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7dae is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

7dae - Revision history

OCA at 16:29, 29 November 2023

OCA at 06:40, 24 March 2021

OCA at 05:20, 25 November 2020

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

OCA: New page: '''Unreleased structure''' The entry 7dae is ON HOLD Authors: Description: Category: Unreleased Structures