8apw - Revision history

OCA at 08:13, 7 February 2024

OCA — Wed, 07 Feb 2024 08:13:10 GMT

←Older revision		Revision as of 08:13, 7 February 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8apw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Haemophilus_influenzae Haemophilus influenzae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8APW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8APW FirstGlance]. <br>		<table><tr><td colspan='2'>[[8apw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Haemophilus_influenzae Haemophilus influenzae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8APW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8APW FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=NL1:1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide'>NL1</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]] 1.8Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=NL1:1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide'>NL1</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=8apw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8apw OCA], [https://pdbe.org/8apw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8apw RCSB], [https://www.ebi.ac.uk/pdbsum/8apw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8apw 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=8apw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8apw OCA], [https://pdbe.org/8apw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8apw RCSB], [https://www.ebi.ac.uk/pdbsum/8apw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8apw ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/TRMD_HAEIG TRMD_HAEIG] Specifically methylates guanosine-37 in various tRNAs.		[https://www.uniprot.org/uniprot/TRMD_HAEIG TRMD_HAEIG] Specifically methylates guanosine-37 in various tRNAs.
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The post-transcriptional modifier tRNA-(N(1)G37) methyltransferase (TrmD) has been proposed to be essential for growth in many Gram-negative and Gram-positive pathogens, however previously reported inhibitors show only weak antibacterial activity. In this work, optimisation of fragment hits resulted in compounds with low nanomolar TrmD inhibition incorporating features designed to enhance bacterial permeability and covering a range of physicochemical space. The resulting lack of significant antibacterial activity suggests that whilst TrmD is highly ligandable, its essentiality and druggability are called into question.
-
-	Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.,Wilkinson AJ, Ooi N, Finlayson J, Lee VE, Lyth D, Maskew KS, Newman R, Orr D, Ansell K, Birchall K, Canning P, Coombs P, Fusani L, McIver E, Pisco J, Ireland PM, Jenkins C, Norville IH, Southern SJ, Cowan R, Hall G, Kettleborough C, Savage VJ, Cooper IR Bioorg Med Chem Lett. 2023 Jun 15;90:129331. doi: 10.1016/j.bmcl.2023.129331. , Epub 2023 May 13. PMID:37187252<ref>PMID:37187252</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 8apw" style="background-color:#fffaf0;"></div>
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 08:15, 14 June 2023

OCA — Wed, 14 Jun 2023 08:15:19 GMT

←Older revision		Revision as of 08:15, 14 June 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8apw is ~~ON HOLD until Paper~~ Publication	+	==Crystal Structure of H. influenzae TrmD in complex with Compound 30==
		+	<StructureSection load='8apw' size='340' side='right'caption='[[8apw]], [[Resolution\|resolution]] 1.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8apw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Haemophilus_influenzae Haemophilus influenzae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8APW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8APW FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=NL1:1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide'>NL1</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=8apw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8apw OCA], [https://pdbe.org/8apw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8apw RCSB], [https://www.ebi.ac.uk/pdbsum/8apw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8apw ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TRMD_HAEIG TRMD_HAEIG] Specifically methylates guanosine-37 in various tRNAs.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The post-transcriptional modifier tRNA-(N(1)G37) methyltransferase (TrmD) has been proposed to be essential for growth in many Gram-negative and Gram-positive pathogens, however previously reported inhibitors show only weak antibacterial activity. In this work, optimisation of fragment hits resulted in compounds with low nanomolar TrmD inhibition incorporating features designed to enhance bacterial permeability and covering a range of physicochemical space. The resulting lack of significant antibacterial activity suggests that whilst TrmD is highly ligandable, its essentiality and druggability are called into question.

-	~~Authors: Hall~~, G., ~~Cowan~~, R., ~~Carr~~, M.D.	+	Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.,Wilkinson AJ, Ooi N, Finlayson J, Lee VE, Lyth D, Maskew KS, Newman R, Orr D, Ansell K, Birchall K, Canning P, Coombs P, Fusani L, McIver E, Pisco J, Ireland PM, Jenkins C, Norville IH, Southern SJ, Cowan R, Hall G, Kettleborough C, Savage VJ, Cooper IR Bioorg Med Chem Lett. 2023 Jun 15;90:129331. doi: 10.1016/j.bmcl.2023.129331. , Epub 2023 May 13. PMID:37187252<ref>PMID:37187252</ref>

-	~~Description: Crystal Structure~~ of H. influenzae ~~TrmD in complex with Compound 30~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Cowan, R~~]]	+	<div class="pdbe-citations 8apw" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Hall, G~~]]	+	== References ==
-	[[Category: ~~Carr, M.D~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Haemophilus influenzae]]
		+	[[Category: Large Structures]]
		+	[[Category: Carr MD]]
		+	[[Category: Cowan R]]
		+	[[Category: Hall G]]

OCA at 05:36, 14 September 2022

OCA — Wed, 14 Sep 2022 05:36:29 GMT

←Older revision		Revision as of 05:36, 14 September 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8apw is ON HOLD	+	The entry 8apw is ON HOLD until Paper Publication

	Authors: Hall, G., Cowan, R., Carr, M.D.		Authors: Hall, G., Cowan, R., Carr, M.D.

OCA: Protected "8apw" [edit=sysop:move=sysop]

OCA — Thu, 18 Aug 2022 03:55:42 GMT

Protected "8apw" [edit=sysop:move=sysop]

←Older revision

Revision as of 03:55, 18 August 2022

OCA: New page: '''Unreleased structure''' The entry 8apw is ON HOLD Authors: Hall, G., Cowan, R., Carr, M.D. Description: Crystal Structure of H. influenzae TrmD in complex with Compound 30 [[Categor...

OCA — Thu, 18 Aug 2022 03:55:40 GMT

New page: '''Unreleased structure''' The entry 8apw is ON HOLD Authors: Hall, G., Cowan, R., Carr, M.D. Description: Crystal Structure of H. influenzae TrmD in complex with Compound 30 [[Categor...

New page

'''Unreleased structure'''

The entry 8apw is ON HOLD

Authors: Hall, G., Cowan, R., Carr, M.D.

Description: Crystal Structure of H. influenzae TrmD in complex with Compound 30
[[Category: Unreleased Structures]]
[[Category: Cowan, R]]
[[Category: Hall, G]]
[[Category: Carr, M.D]]