6gnu - Revision history

OCA at 08:39, 10 October 2018

2018-10-10T08:39:26Z

← Older revision		Revision as of 08:39, 10 October 2018
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	<StructureSection load='6gnu' size='340' side='right' caption='[[6gnu]], [[Resolution\|resolution]] 1.54Å' scene=''>		<StructureSection load='6gnu' size='340' side='right' caption='[[6gnu]], [[Resolution\|resolution]] 1.54Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6gnu]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6GNU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6GNU FirstGlance]. <br>		<table><tr><td colspan='2'>[[6gnu]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Leima Leima]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6GNU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6GNU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=F5Z:4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide'>F5Z</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=F5Z:4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide'>F5Z</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene></td></tr>
			<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NMT, LMJF_32_0080 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5664 LEIMA])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycylpeptide_N-tetradecanoyltransferase Glycylpeptide N-tetradecanoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.97 2.3.1.97] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycylpeptide_N-tetradecanoyltransferase Glycylpeptide N-tetradecanoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.97 2.3.1.97] </span></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6gnu OCA], [http://pdbe.org/6gnu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6gnu RCSB], [http://www.ebi.ac.uk/pdbsum/6gnu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6gnu ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6gnu OCA], [http://pdbe.org/6gnu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6gnu RCSB], [http://www.ebi.ac.uk/pdbsum/6gnu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6gnu ProSAT]</span></td></tr>
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	</StructureSection>		</StructureSection>
	[[Category: Glycylpeptide N-tetradecanoyltransferase]]		[[Category: Glycylpeptide N-tetradecanoyltransferase]]
			[[Category: Leima]]
	[[Category: Brand, S]]		[[Category: Brand, S]]
	[[Category: Brenk, R]]		[[Category: Brenk, R]]

OCA at 08:14, 26 September 2018

2018-09-26T08:14:19Z

← Older revision		Revision as of 08:14, 26 September 2018
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	~~'''Unreleased structure'''~~

	~~The entry~~ 6gnu is ~~ON HOLD until Paper~~ Publication		==Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand==
			<StructureSection load='6gnu' size='340' side='right' caption='[[6gnu]], [[Resolution\|resolution]] 1.54Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[6gnu]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6GNU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6GNU FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=F5Z:4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide'>F5Z</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene></td></tr>
			<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycylpeptide_N-tetradecanoyltransferase Glycylpeptide N-tetradecanoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.97 2.3.1.97] </span></td></tr>
			<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6gnu OCA], [http://pdbe.org/6gnu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6gnu RCSB], [http://www.ebi.ac.uk/pdbsum/6gnu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6gnu ProSAT]</span></td></tr>
			</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/Q4Q5S8_LEIMA Q4Q5S8_LEIMA]] Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins (By similarity).
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Crystallography has guided the hybridization of two series of Trypanosoma brucei N-myristoyltransferase (NMT) inhibitors, leading to a novel highly selective series. The effect of combining the selectivity enhancing elements from two pharmacophores is shown to be additive and has led to compounds that have greater than 1000-fold selectivity for TbNMT vs HsNMT. Further optimization of the hybrid series has identified compounds with significant trypanocidal activity capable of crossing the blood-brain barrier. By using CF-1 mdr1a deficient mice, we were able to demonstrate full cures in vivo in a mouse model of stage 2 African sleeping sickness. This and previous work provides very strong validation for NMT as a drug target for human African trypanosomiasis in both the peripheral and central nervous system stages of disease.

	~~Authors: Robinson~~, ~~D.A~~., Harrison~~, J.R.~~, Brand, S., Smith, ~~V.C.~~, Thompson, S., Smith, A., Davies, K., Mok, N~~.Y.~~, Torrie~~, L.S.~~, Collie, I., Hallyburton, I., Norval, S., Simeons~~, F.R.C.~~, Stojanovski, L., Frearson~~, J.A.~~, Brenk, R., Wyatt, P.G.~~, Gilbert, I~~.H.~~, Read, K~~.D.		A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.,Harrison JR, Brand S, Smith V, Robinson DA, Thompson S, Smith A, Davies K, Mok N, Torrie LS, Collie I, Hallyburton I, Norval S, Simeons FRC, Stojanovski L, Frearson JA, Brenk R, Wyatt PG, Gilbert IH, Read KD J Med Chem. 2018 Sep 12. doi: 10.1021/acs.jmedchem.8b00884. PMID:30207721<ref>PMID:30207721</ref>

	~~Description: Crystal Structure~~ of ~~Leishmania major N~~-~~Myristoyltransferase (NMT) With Bound Myristoyl~~-~~CoA and a Quionlinyl aryl sulphonamide ligand~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	~~[[Category: Unreleased Structures]]~~		</div>
	~~[[Category: Harrison, J.R]]~~		<div class="pdbe-citations 6gnu" style="background-color:#fffaf0;"></div>
	[[Category: ~~Read, K.D~~]]		== References ==
	[[Category: ~~Norval~~, S]]		<references/>
	~~[[Category: Smith, V.C~~]]		__TOC__
			</StructureSection>
			[[Category: Glycylpeptide N-tetradecanoyltransferase]]
			[[Category: Brand, S]]
	[[Category: Brenk, R]]		[[Category: Brenk, R]]
	~~[[Category: Smith, A]]~~
	~~[[Category: Robinson, D.A]]~~
	~~[[Category: Simeons, F.R.C]]~~
	[[Category: Collie, I]]		[[Category: Collie, I]]
	~~[[Category: Mok, N.Y]]~~
	~~[[Category: Brand, S]]~~
	[[Category: Davies, K]]		[[Category: Davies, K]]
	[[Category: ~~Torrie~~, ~~L.S~~]]		[[Category: Frearson, J A]]
	[[Category: Gilbert, I.H]]		[[Category: Gilbert, I H]]
	~~[[Category: Frearson, J.A~~]]
	[[Category: Hallyburton, I]]		[[Category: Hallyburton, I]]
			[[Category: Harrison, J R]]
			[[Category: Mok, N Y]]
			[[Category: Norval, S]]
			[[Category: Read, K D]]
			[[Category: Robinson, D A]]
			[[Category: Simeons, F R.C]]
			[[Category: Smith, A]]
			[[Category: Smith, V C]]
	[[Category: Stojanovski, L]]		[[Category: Stojanovski, L]]
	~~[[Category: Wyatt, P.G]]~~
	[[Category: Thompson, S]]		[[Category: Thompson, S]]
			[[Category: Torrie, L S]]
			[[Category: Wyatt, P G]]
			[[Category: Acyltransferase]]
			[[Category: Drug discovery]]
			[[Category: Transferase]]

OCA at 04:49, 22 August 2018

2018-08-22T04:49:49Z

← Older revision		Revision as of 04:49, 22 August 2018
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 6gnu is ON HOLD		The entry 6gnu is ON HOLD until Paper Publication

	Authors: Robinson, D.A., Harrison, J.R., Brand, S., Smith, V.C., Thompson, S., Smith, A., Davies, K., Mok, N.Y., Torrie, L.S., Collie, I., Hallyburton, I., Norval, S., Simeons, F.R.C., Stojanovski, L., Frearson, J.A., Brenk, R., Wyatt, P.G., Gilbert, I.H., Read, K.D.		Authors: Robinson, D.A., Harrison, J.R., Brand, S., Smith, V.C., Thompson, S., Smith, A., Davies, K., Mok, N.Y., Torrie, L.S., Collie, I., Hallyburton, I., Norval, S., Simeons, F.R.C., Stojanovski, L., Frearson, J.A., Brenk, R., Wyatt, P.G., Gilbert, I.H., Read, K.D.

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

2018-06-06T04:33:19Z

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

← Older revision	Revision as of 04:33, 6 June 2018
(No difference)

OCA: New page: '''Unreleased structure''' The entry 6gnu is ON HOLD Authors: Robinson, D.A., Harrison, J.R., Brand, S., Smith, V.C., Thompson, S., Smith, A., Davies, K., Mok, N.Y., Torrie, L.S., Colli...

2018-06-06T04:33:18Z

New page: '''Unreleased structure''' The entry 6gnu is ON HOLD Authors: Robinson, D.A., Harrison, J.R., Brand, S., Smith, V.C., Thompson, S., Smith, A., Davies, K., Mok, N.Y., Torrie, L.S., Colli...

New page

'''Unreleased structure'''

The entry 6gnu is ON HOLD

Authors: Robinson, D.A., Harrison, J.R., Brand, S., Smith, V.C., Thompson, S., Smith, A., Davies, K., Mok, N.Y., Torrie, L.S., Collie, I., Hallyburton, I., Norval, S., Simeons, F.R.C., Stojanovski, L., Frearson, J.A., Brenk, R., Wyatt, P.G., Gilbert, I.H., Read, K.D.

Description: Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand
[[Category: Unreleased Structures]]
[[Category: Harrison, J.R]]
[[Category: Read, K.D]]
[[Category: Norval, S]]
[[Category: Smith, V.C]]
[[Category: Brenk, R]]
[[Category: Smith, A]]
[[Category: Robinson, D.A]]
[[Category: Simeons, F.R.C]]
[[Category: Collie, I]]
[[Category: Mok, N.Y]]
[[Category: Brand, S]]
[[Category: Davies, K]]
[[Category: Torrie, L.S]]
[[Category: Gilbert, I.H]]
[[Category: Frearson, J.A]]
[[Category: Hallyburton, I]]
[[Category: Stojanovski, L]]
[[Category: Wyatt, P.G]]
[[Category: Thompson, S]]