OCA at 12:06, 24 January 2024

OCA — Wed, 24 Jan 2024 12:06:39 GMT

←Older revision		Revision as of 12:06, 24 January 2024
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-	'''Unreleased structure'''

-	~~The entry~~ 6qqz is ~~ON HOLD~~	+	==Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor==
		+	<StructureSection load='6qqz' size='340' side='right'caption='[[6qqz]], [[Resolution\|resolution]] 1.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6qqz]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacteroides_abscessus Mycobacteroides abscessus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QQZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QQZ FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.702Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JEB:5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile'>JEB</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6qqz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qqz OCA], [https://pdbe.org/6qqz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qqz RCSB], [https://www.ebi.ac.uk/pdbsum/6qqz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qqz ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/B1MDI3_MYCA9 B1MDI3_MYCA9] Specifically methylates guanosine-37 in various tRNAs.[HAMAP-Rule:MF_00605][RuleBase:RU003464][SAAS:SAAS00040552]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Mycobacterium abscessus (Mab) is a rapidly growing species of multidrug-resistant nontuberculous mycobacteria that has emerged as a growing threat to individuals with cystic fibrosis and other pre-existing chronic lung diseases. Mab pulmonary infections are difficult, or sometimes impossible, to treat and result in accelerated lung function decline and premature death. There is therefore an urgent need to develop novel antibiotics with improved efficacy. tRNA (m(1)G37) methyltransferase (TrmD) is a promising target for novel antibiotics. It is essential in Mab and other mycobacteria, improving reading frame maintenance on the ribosome to prevent frameshift errors. In this work, a fragment-based approach was employed with the merging of two fragments bound to the active site, followed by structure-guided elaboration to design potent nanomolar inhibitors against Mab TrmD. Several of these compounds exhibit promising activity against mycobacterial species, including Mycobacterium tuberculosis and Mycobacterium leprae in addition to Mab, supporting the use of TrmD as a target for the development of antimycobacterial compounds.

-	~~Authors: Thomas, S.E~~., Whitehouse, ~~A.J.~~, ~~Coyne~~, A~~.G.~~, ~~Abell~~, C., Mendes, V., Blundell, T.L.	+	Development of Inhibitors against Mycobacterium abscessus tRNA (m(1)G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.,Whitehouse AJ, Thomas SE, Brown KP, Fanourakis A, Chan DS, Libardo MDJ, Mendes V, Boshoff HIM, Floto RA, Abell C, Blundell TL, Coyne AG J Med Chem. 2019 Aug 8;62(15):7210-7232. doi: 10.1021/acs.jmedchem.9b00809. Epub , 2019 Jul 19. PMID:31282680<ref>PMID:31282680</ref>

-	~~Description: Crystal structure of TrmD~~, a ~~tRNA~~-~~(N1G37)~~ methyltransferase~~, from Mycobacterium abscessus in complex with inhibitor~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Blundell, T.L~~]]	+	<div class="pdbe-citations 6qqz" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Mendes, V~~]]	+
-	[[Category: ~~Thomas, S.E~~]]	+	==See Also==
-	[[Category: ~~Abell, C~~]]	+	*[[TRNA methyltransferase 3D structures\|TRNA methyltransferase 3D structures]]
-	[[Category: ~~Whitehouse, A.J~~]]	+	== References ==
-	[[Category: ~~Coyne, A.G~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Mycobacteroides abscessus]]
		+	[[Category: Abell C]]
		+	[[Category: Blundell TL]]
		+	[[Category: Coyne AG]]
		+	[[Category: Mendes V]]
		+	[[Category: Thomas SE]]
		+	[[Category: Whitehouse AJ]]

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

OCA — Wed, 27 Feb 2019 13:57:55 GMT

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

←Older revision

Revision as of 13:57, 27 February 2019

OCA: New page: '''Unreleased structure''' The entry 6qqz is ON HOLD Authors: Thomas, S.E., Whitehouse, A.J., Coyne, A.G., Abell, C., Mendes, V., Blundell, T.L. Description: Crystal structure of TrmD,...

OCA — Wed, 27 Feb 2019 13:57:54 GMT

New page: '''Unreleased structure''' The entry 6qqz is ON HOLD Authors: Thomas, S.E., Whitehouse, A.J., Coyne, A.G., Abell, C., Mendes, V., Blundell, T.L. Description: Crystal structure of TrmD,...

New page

'''Unreleased structure'''

The entry 6qqz is ON HOLD

Authors: Thomas, S.E., Whitehouse, A.J., Coyne, A.G., Abell, C., Mendes, V., Blundell, T.L.

Description: Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
[[Category: Unreleased Structures]]
[[Category: Blundell, T.L]]
[[Category: Mendes, V]]
[[Category: Thomas, S.E]]
[[Category: Abell, C]]
[[Category: Whitehouse, A.J]]
[[Category: Coyne, A.G]]

6qqz - Revision history

OCA at 12:06, 24 January 2024

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

OCA: New page: '''Unreleased structure''' The entry 6qqz is ON HOLD Authors: Thomas, S.E., Whitehouse, A.J., Coyne, A.G., Abell, C., Mendes, V., Blundell, T.L. Description: Crystal structure of TrmD,...