OCA at 16:01, 18 October 2023

OCA — Wed, 18 Oct 2023 16:01:38 GMT

←Older revision		Revision as of 16:01, 18 October 2023
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-	====	+	==Tubulin-RB3_SLD-TTL in complex with compound 5k==
-	<StructureSection load='7lz7' size='340' side='right'caption='[[7lz7]]' scene=''>	+	<StructureSection load='7lz7' size='340' side='right'caption='[[7lz7]], [[Resolution\|resolution]] 2.80Å' 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'>[[7lz7]] is a 6 chain structure with sequence from [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=7LZ7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7LZ7 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=7lz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7lz7 OCA], [https://pdbe.org/7lz7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7lz7 RCSB], [https://www.ebi.ac.uk/pdbsum/7lz7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7lz7 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]] 2.8Å</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=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=YJ7:4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one'>YJ7</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=7lz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7lz7 OCA], [https://pdbe.org/7lz7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7lz7 RCSB], [https://www.ebi.ac.uk/pdbsum/7lz7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7lz7 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 ==
		+	Small molecules that interact with the colchicine binding site in tubulin have demonstrated therapeutic efficacy in treating cancers. We report the design, syntheses, and antitumor efficacies of new analogues of pyridopyrimidine and hydroquinoxalinone compounds with improved drug-like characteristics. Eight analogues, 5j, 5k, 5l, 5m, 5n, 5r, 5t, and 5u, showed significant improvement in metabolic stability and demonstrated strong antiproliferative potency in a panel of human cancer cell lines, including melanoma, lung cancer, and breast cancer. We report crystal structures of tubulin in complex with five representative compounds, 5j, 5k, 5l, 5m, and 5t, providing direct confirmation for their binding to the colchicine site in tubulin. A quantitative structure-activity relationship analysis of the synthesized analogues showed strong ability to predict potency. In vivo, 5m (4 mg/kg) and 5t (5 mg/kg) significantly inhibited tumor growth as well as melanoma spontaneous metastasis into the lung and liver against a highly paclitaxel-resistant A375/TxR xenograft model.
		+
		+	X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.,Banerjee S, Mahmud F, Deng S, Ma L, Yun MK, Fakayode SO, Arnst KE, Yang L, Chen H, Wu Z, Lukka PB, Parmar K, Meibohm B, White SW, Wang Y, Li W, Miller DD J Med Chem. 2021 Sep 9;64(17):13072-13095. doi: 10.1021/acs.jmedchem.1c01202. , Epub 2021 Aug 18. PMID:34406768<ref>PMID:34406768</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7lz7" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Stathmin-4 3D structures\|Stathmin-4 3D structures]]
		+	*[[Tubulin 3D Structures\|Tubulin 3D Structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Gallus gallus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Z-disk~~]]	+	[[Category: Rattus norvegicus]]
		+	[[Category: Sus scrofa]]
		+	[[Category: White SW]]
		+	[[Category: Yun M]]

OCA at 06:51, 22 September 2021

OCA — Wed, 22 Sep 2021 06:51:40 GMT

←Older revision		Revision as of 06:51, 22 September 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 7lz7 ~~is ON HOLD until Paper Publication~~	+	====
-		+	<StructureSection load='7lz7' size='340' side='right'caption='[[7lz7]]' 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=7lz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7lz7 OCA], [https://pdbe.org/7lz7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7lz7 RCSB], [https://www.ebi.ac.uk/pdbsum/7lz7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7lz7 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Z-disk]]

OCA at 05:38, 14 April 2021

OCA — Wed, 14 Apr 2021 05:38:24 GMT

←Older revision		Revision as of 05:38, 14 April 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7lz7 is ON HOLD	+	The entry 7lz7 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7lz7" [edit=sysop:move=sysop]

OCA — Wed, 17 Mar 2021 05:25:52 GMT

Protected "7lz7" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:25, 17 March 2021

OCA: New page: '''Unreleased structure''' The entry 7lz7 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 17 Mar 2021 05:25:50 GMT

New page: '''Unreleased structure''' The entry 7lz7 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7lz7 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

7lz7 - Revision history

OCA at 16:01, 18 October 2023

OCA at 06:51, 22 September 2021

OCA at 05:38, 14 April 2021

OCA: Protected "7lz7" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 7lz7 is ON HOLD Authors: Description: Category: Unreleased Structures