OCA at 16:57, 29 November 2023

OCA — Wed, 29 Nov 2023 16:57:00 GMT

←Older revision		Revision as of 16:57, 29 November 2023
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-	====	+	==Crystal structure of tubulin in complex with Tubulysin analogue TGL==
-	<StructureSection load='7en3' size='340' side='right'caption='[[7en3]]' scene=''>	+	<StructureSection load='7en3' size='340' side='right'caption='[[7en3]], [[Resolution\|resolution]] 2.64Å' 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'>[[7en3]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus], [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus], [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus] 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=7EN3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7EN3 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=7en3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7en3 OCA], [https://pdbe.org/7en3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7en3 RCSB], [https://www.ebi.ac.uk/pdbsum/7en3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7en3 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]] 2.643Å</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=GDP:GUANOSINE-5-DIPHOSPHATE'>GDP</scene>, <scene name='pdbligand=GTP:GUANOSINE-5-TRIPHOSPHATE'>GTP</scene>, <scene name='pdbligand=J6R:(2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic+acid'>J6R</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=7en3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7en3 OCA], [https://pdbe.org/7en3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7en3 RCSB], [https://www.ebi.ac.uk/pdbsum/7en3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7en3 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TBA1B_PIG TBA1B_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-targeting agents (MTAs) are the most commonly used anti-cancer drugs. At least fourteen microtubule inhibitors and ten antibody drug conjugates (ADCs) linking MTAs are approved by FDA for clinical use in cancer therapy. In current research, we determined the crystal structure of tubulysin analogue TGL in complex with tubulin at a high resolution (2.65 A). In addition, we summarized all of the previously published high-resolution crystal structures of ligands in the vinca site to provide structural insights for the rational design of the new vinca-site ligands. Moreover, based on the aligned results of the vinca site ligands, we provided three possible routes for designing new tubulysin analogues, namely macrocyclization between the N-14 side chain and the N-9 side chain, the hybird of tubulysin M and phomopsin A, and growing new aryl group at C-21. These designed structures will inspire the development of new MTAs or payloads in cancer therapy.
		+
		+	The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues.,Li W, Tan L, Zhang Z, Xia Q, Lei D, Li Y, Zhang T, Zeng S, Sima X, Wang Y Biochem Biophys Res Commun. 2021 Aug 6;565:29-35. doi: , 10.1016/j.bbrc.2021.05.086. Epub 2021 Jun 2. PMID:34090207<ref>PMID:34090207</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7en3" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Tubulin 3D Structures\|Tubulin 3D Structures]]
		+	*[[Tubulin tyrosine ligase\|Tubulin tyrosine ligase]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bos taurus]]
		+	[[Category: Gallus gallus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Z-disk~~]]	+	[[Category: Rattus norvegicus]]
		+	[[Category: Sus scrofa]]
		+	[[Category: Li W]]
		+	[[Category: Wang Y]]

OCA at 11:37, 27 April 2022

OCA — Wed, 27 Apr 2022 11:37:16 GMT

←Older revision		Revision as of 11:37, 27 April 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7en3 ~~is ON HOLD until Paper Publication~~	+	====
-		+	<StructureSection load='7en3' size='340' side='right'caption='[[7en3]]' scene=''>
-	~~Authors~~: ~~Wang, Y~~.~~, Li, W~~.	+	== 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: Crystal~~ structure ~~of tubulin in complex with Tubulysin analogue TGL~~	+	</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=7en3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7en3 OCA], [https://pdbe.org/7en3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7en3 RCSB], [https://www.ebi.ac.uk/pdbsum/7en3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7en3 ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[Category: ~~Wang, Y~~]]	+	__TOC__
-	[[Category: ~~Li, W~~]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Z-disk]]

OCA at 07:17, 5 May 2021

OCA — Wed, 05 May 2021 07:17:36 GMT

←Older revision		Revision as of 07:17, 5 May 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7en3 is ON HOLD	+	The entry 7en3 is ON HOLD until Paper Publication

	Authors: Wang, Y., Li, W.		Authors: Wang, Y., Li, W.

OCA: Protected "7en3" [edit=sysop:move=sysop]

OCA — Wed, 21 Apr 2021 06:09:52 GMT

Protected "7en3" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:09, 21 April 2021

OCA: New page: '''Unreleased structure''' The entry 7en3 is ON HOLD Authors: Wang, Y., Li, W. Description: Crystal structure of tubulin in complex with Tubulysin analogue TGL [[Category: Unreleased S...

OCA — Wed, 21 Apr 2021 06:09:50 GMT

New page: '''Unreleased structure''' The entry 7en3 is ON HOLD Authors: Wang, Y., Li, W. Description: Crystal structure of tubulin in complex with Tubulysin analogue TGL [[Category: Unreleased S...

New page

'''Unreleased structure'''

The entry 7en3 is ON HOLD

Authors: Wang, Y., Li, W.

Description: Crystal structure of tubulin in complex with Tubulysin analogue TGL
[[Category: Unreleased Structures]]
[[Category: Wang, Y]]
[[Category: Li, W]]

7en3 - Revision history

OCA at 16:57, 29 November 2023

OCA at 11:37, 27 April 2022

OCA at 07:17, 5 May 2021

OCA: Protected "7en3" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 7en3 is ON HOLD Authors: Wang, Y., Li, W. Description: Crystal structure of tubulin in complex with Tubulysin analogue TGL [[Category: Unreleased S...