4xtu - Revision history

OCA at 07:49, 27 September 2023

OCA — Wed, 27 Sep 2023 07:49:19 GMT

←Older revision		Revision as of 07:49, 27 September 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4xtu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XTU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XTU FirstGlance]. <br>		<table><tr><td colspan='2'>[[4xtu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XTU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XTU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=44J:N-({[(1R,2S,3R,4R)-4-(6-AMINO-9H-PURIN-9-YL)-2,3-DIHYDROXYCYCLOPENTYL]METHYL}SULFAMOYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE'>44J</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]] 1.6500299Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=44J:N-({[(1R,2S,3R,4R)-4-(6-AMINO-9H-PURIN-9-YL)-2,3-DIHYDROXYCYCLOPENTYL]METHYL}SULFAMOYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE'>44J</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=4xtu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xtu OCA], [https://pdbe.org/4xtu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xtu RCSB], [https://www.ebi.ac.uk/pdbsum/4xtu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xtu 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=4xtu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xtu OCA], [https://pdbe.org/4xtu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xtu RCSB], [https://www.ebi.ac.uk/pdbsum/4xtu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xtu ProSAT]</span></td></tr>
	</table>		</table>

OCA at 17:52, 26 April 2023

OCA — Wed, 26 Apr 2023 17:52:31 GMT

←Older revision		Revision as of 17:52, 26 April 2023
Line 3:		Line 3:
	<StructureSection load='4xtu' size='340' side='right'caption='[[4xtu]], [[Resolution\|resolution]] 1.65Å' scene=''>		<StructureSection load='4xtu' size='340' side='right'caption='[[4xtu]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4xtu]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus~~ tuberculosis~~" (zopf 1883) klein 1884~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XTU OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4XTU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4xtu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XTU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XTU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=44J:N-({[(1R,2S,3R,4R)-4-(6-AMINO-9H-PURIN-9-YL)-2,3-DIHYDROXYCYCLOPENTYL]METHYL}SULFAMOYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE'>44J</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=44J:N-({[(1R,2S,3R,4R)-4-(6-AMINO-9H-PURIN-9-YL)-2,3-DIHYDROXYCYCLOPENTYL]METHYL}SULFAMOYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE'>44J</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xtv\|4xtv]], [[4xtw\|4xtw]], [[4xtx\|4xtx]], [[4xty\|4xty]], [[4xtz\|4xtz]], [[4xu0\|4xu0]], [[4xu1\|4xu1]], [[4xu2\|4xu2]], [[4xu3\|4xu3]]</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=4xtu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xtu OCA], [https://pdbe.org/4xtu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xtu RCSB], [https://www.ebi.ac.uk/pdbsum/4xtu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xtu ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">birA, CH81_03124, CH82_03406, CH84_03412, CH85_03111, CH87_01691, CH88_02592, CO60_3782, ER17_17395, FF22_02902, FI98_01129, IQ38_01820, IQ39_01720, IQ40_01775, IQ41_01700, IQ42_01770, IQ43_01710, IQ44_01750, IQ45_01765, IQ46_01705, IQ47_01735, IQ48_01770, IU12_01860, IU13_01785, IU14_01730, IU16_01770, IU17_01745, IU18_01730, IU19_01775, IU20_01750, IU22_01755, IU23_01750, IU24_01735, IZ84_17515, JE53_17495, LJ70_17695, T209_01770 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Biotin--[acetyl-CoA-carboxylase]_ligase Biotin--[acetyl-CoA-carboxylase] ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.4.15 6.3.4.15] </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=4xtu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xtu OCA], [~~http~~://pdbe.org/4xtu PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4xtu RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4xtu PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4xtu ProSAT]</span></td></tr>	+
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/BIRA_MYCTU BIRA_MYCTU] Catalyzes the transfer of biotin onto a conserved lysine residue of the biotin carboxyl carrier protein (BCCP) domain of acetyl-CoA carboxylase and converts it to active holo-BCCP (PubMed:18509457, PubMed:24723382). Forms an acyl-adenylate intermediate (PubMed:18509457, PubMed:24723382). Cannot use GTP or desthiobiotin (PubMed:18509457).<ref>PMID:18509457</ref> <ref>PMID:24723382</ref>
-	~~Mycobacterium tuberculosis (Mtb) responsible for both latent and symptomatic tuberculosis (TB) remains the second leading cause of mortality among infectious diseases worldwide~~. ~~Mycobacterial biotin protein ligase (MtBPL) is an essential enzyme in Mtb and regulates lipid metabolism through the post-translational biotinylation of acyl coenzyme A carboxylases~~. ~~We report~~ the ~~synthesis and evaluation~~ of a ~~systematic series~~ of ~~potent nucleoside-based inhibitors of MtBPL that contain modifications to~~ the ~~ribofuranosyl ring of the nucleoside. All compounds were characterized by isothermal titration calorimetry~~ (~~ITC~~) and ~~shown~~ to ~~bind potently with KD's below 2 nM. Additionally, we obtained high~~-~~resolution co-crystal structures for a majority of the compounds. Despite fairly uniform biochemical potency~~, ~~the whole-cell Mtb activity varied greatly with minimum inhibitory concentrations (MIC~~) ~~ranging from 0~~.~~78 to >100 microM. Cellular accumulation studies in Mtb showed a nearly 10~~-~~fold enhanced accumulation of a C-2'-alpha analog over the corresponding C-2'-beta analog~~, ~~consistent with their differential whole-cell activity~~.	+
-		+
-	~~Targeting Mycobacterium tuberculosis Biotin Protein Ligase~~ (~~MtBPL~~) ~~with Nucleoside-Based Bisubstrate Adenylation Inhibitors~~.~~,Bockman MR, Kalinda AS, Petrelli R, De la Mora-Rey T, Tiwari D, Liu F, Dawadi S, Nandakumar M, Rhee KY, Schnappinger D, Finzel BC, Aldrich CC J Med Chem. 2015 Aug 24. PMID:26299766~~<ref>PMID:~~26299766~~</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.~~<br>	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 4xtu" style="background-color~~:~~#fffaf0;">~~</~~div~~>	+

	==See Also==		==See Also==
Line 27:		Line 17:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Finzel, B C~~]]	+	[[Category: Mycobacterium tuberculosis]]
-	[[Category: Mora-Rey, T ~~De la~~]]	+	[[Category: De la Mora-Rey T]]
-	[[Category: ~~Biotin-protein ligase]]~~	+	[[Category: Finzel BC]]
-	~~[[Category: Bisubstrate inhibitor]]~~	+
-	~~[[Category: Ligase-ligase inhibitor complex~~]]	+

OCA at 15:50, 11 December 2019

OCA — Wed, 11 Dec 2019 15:50:03 GMT

←Older revision		Revision as of 15:50, 11 December 2019
Line 1:		Line 1:

	==Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)==		==Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)==
-	<StructureSection load='4xtu' size='340' side='right' caption='[[4xtu]], [[Resolution\|resolution]] 1.65Å' scene=''>	+	<StructureSection load='4xtu' size='340' side='right'caption='[[4xtu]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4xtu]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XTU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XTU FirstGlance]. <br>		<table><tr><td colspan='2'>[[4xtu]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XTU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XTU FirstGlance]. <br>
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 4xtu" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4xtu" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Biotin Protein Ligase 3D structures\|Biotin Protein Ligase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Finzel, B C]]		[[Category: Finzel, B C]]
	[[Category: Mora-Rey, T De la]]		[[Category: Mora-Rey, T De la]]

OCA at 09:37, 22 November 2017

OCA — Wed, 22 Nov 2017 09:37:02 GMT

←Older revision		Revision as of 09:37, 22 November 2017
Line 1:		Line 1:
		+
	==Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)==		==Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)==
	<StructureSection load='4xtu' size='340' side='right' caption='[[4xtu]], [[Resolution\|resolution]] 1.65Å' scene=''>		<StructureSection load='4xtu' size='340' side='right' caption='[[4xtu]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4xtu]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XTU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XTU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4xtu]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XTU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XTU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=44J:N-({[(1R,2S,3R,4R)-4-(6-AMINO-9H-PURIN-9-YL)-2,3-DIHYDROXYCYCLOPENTYL]METHYL}SULFAMOYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE'>44J</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=44J:N-({[(1R,2S,3R,4R)-4-(6-AMINO-9H-PURIN-9-YL)-2,3-DIHYDROXYCYCLOPENTYL]METHYL}SULFAMOYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE'>44J</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xtv\|4xtv]], [[4xtw\|4xtw]], [[4xtx\|4xtx]], [[4xty\|4xty]], [[4xtz\|4xtz]], [[4xu0\|4xu0]], [[4xu1\|4xu1]], [[4xu2\|4xu2]], [[4xu3\|4xu3]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xtv\|4xtv]], [[4xtw\|4xtw]], [[4xtx\|4xtx]], [[4xty\|4xty]], [[4xtz\|4xtz]], [[4xu0\|4xu0]], [[4xu1\|4xu1]], [[4xu2\|4xu2]], [[4xu3\|4xu3]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">birA, CH81_03124, CH82_03406, CH84_03412, CH85_03111, CH87_01691, CH88_02592, CO60_3782, ER17_17395, FF22_02902, FI98_01129, IQ38_01820, IQ39_01720, IQ40_01775, IQ41_01700, IQ42_01770, IQ43_01710, IQ44_01750, IQ45_01765, IQ46_01705, IQ47_01735, IQ48_01770, IU12_01860, IU13_01785, IU14_01730, IU16_01770, IU17_01745, IU18_01730, IU19_01775, IU20_01750, IU22_01755, IU23_01750, IU24_01735, IZ84_17515, JE53_17495, LJ70_17695, T209_01770 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Biotin--[acetyl-CoA-carboxylase]_ligase Biotin--[acetyl-CoA-carboxylase] ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.4.15 6.3.4.15] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Biotin--[acetyl-CoA-carboxylase]_ligase Biotin--[acetyl-CoA-carboxylase] ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.4.15 6.3.4.15] </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=4xtu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xtu OCA], [http://pdbe.org/4xtu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xtu RCSB], [http://www.ebi.ac.uk/pdbsum/4xtu PDBsum]</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=4xtu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xtu OCA], [http://pdbe.org/4xtu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xtu RCSB], [http://www.ebi.ac.uk/pdbsum/4xtu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4xtu ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 20:06, 13 January 2016

OCA — Wed, 13 Jan 2016 20:06:24 GMT

←Older revision		Revision as of 20:06, 13 January 2016
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)==
		+	<StructureSection load='4xtu' size='340' side='right' caption='[[4xtu]], [[Resolution\|resolution]] 1.65Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4xtu]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XTU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XTU FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=44J:N-({[(1R,2S,3R,4R)-4-(6-AMINO-9H-PURIN-9-YL)-2,3-DIHYDROXYCYCLOPENTYL]METHYL}SULFAMOYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE'>44J</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xtv\|4xtv]], [[4xtw\|4xtw]], [[4xtx\|4xtx]], [[4xty\|4xty]], [[4xtz\|4xtz]], [[4xu0\|4xu0]], [[4xu1\|4xu1]], [[4xu2\|4xu2]], [[4xu3\|4xu3]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Biotin--[acetyl-CoA-carboxylase]_ligase Biotin--[acetyl-CoA-carboxylase] ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.4.15 6.3.4.15] </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=4xtu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xtu OCA], [http://pdbe.org/4xtu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xtu RCSB], [http://www.ebi.ac.uk/pdbsum/4xtu PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Mycobacterium tuberculosis (Mtb) responsible for both latent and symptomatic tuberculosis (TB) remains the second leading cause of mortality among infectious diseases worldwide. Mycobacterial biotin protein ligase (MtBPL) is an essential enzyme in Mtb and regulates lipid metabolism through the post-translational biotinylation of acyl coenzyme A carboxylases. We report the synthesis and evaluation of a systematic series of potent nucleoside-based inhibitors of MtBPL that contain modifications to the ribofuranosyl ring of the nucleoside. All compounds were characterized by isothermal titration calorimetry (ITC) and shown to bind potently with KD's below 2 nM. Additionally, we obtained high-resolution co-crystal structures for a majority of the compounds. Despite fairly uniform biochemical potency, the whole-cell Mtb activity varied greatly with minimum inhibitory concentrations (MIC) ranging from 0.78 to >100 microM. Cellular accumulation studies in Mtb showed a nearly 10-fold enhanced accumulation of a C-2'-alpha analog over the corresponding C-2'-beta analog, consistent with their differential whole-cell activity.

-	~~The entry 4xtu is ON HOLD until Paper Publication~~	+	Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.,Bockman MR, Kalinda AS, Petrelli R, De la Mora-Rey T, Tiwari D, Liu F, Dawadi S, Nandakumar M, Rhee KY, Schnappinger D, Finzel BC, Aldrich CC J Med Chem. 2015 Aug 24. PMID:26299766<ref>PMID:26299766</ref>

-	~~Authors: De la Mora-Rey~~, T.~~, Finzel, B~~.C.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~:	+	<div class="pdbe-citations 4xtu" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
-	[[Category: ~~De La~~ Mora-Rey, T]]	+	<references/>
-	[[Category: ~~Finzel, B.C~~]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Finzel, B C]]
		+	[[Category: Mora-Rey, T De la]]
		+	[[Category: Biotin-protein ligase]]
		+	[[Category: Bisubstrate inhibitor]]
		+	[[Category: Ligase-ligase inhibitor complex]]

OCA at 08:51, 30 April 2015

OCA — Thu, 30 Apr 2015 08:51:57 GMT

←Older revision		Revision as of 08:51, 30 April 2015
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4xtu is ON HOLD	+	The entry 4xtu is ON HOLD until Paper Publication

	Authors: De la Mora-Rey, T., Finzel, B.C.		Authors: De la Mora-Rey, T., Finzel, B.C.

OCA at 10:42, 12 February 2015

OCA — Thu, 12 Feb 2015 10:42:56 GMT

←Older revision		Revision as of 10:42, 12 February 2015
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	Authors: De la Mora-Rey, T., Finzel, B.C.		Authors: De la Mora-Rey, T., Finzel, B.C.

-	Description: ~~Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 28~~	+	Description:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: De La Mora-Rey, T]]		[[Category: De La Mora-Rey, T]]
	[[Category: Finzel, B.C]]		[[Category: Finzel, B.C]]

OCA: Protected "4xtu" [edit=sysop:move=sysop]

OCA — Sat, 07 Feb 2015 14:49:04 GMT

Protected "4xtu" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:49, 7 February 2015

OCA: New page: '''Unreleased structure''' The entry 4xtu is ON HOLD Authors: De la Mora-Rey, T., Finzel, B.C. Description: Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibito...

OCA — Sat, 07 Feb 2015 14:49:03 GMT

New page: '''Unreleased structure''' The entry 4xtu is ON HOLD Authors: De la Mora-Rey, T., Finzel, B.C. Description: Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibito...

New page

'''Unreleased structure'''

The entry 4xtu is ON HOLD

Authors: De la Mora-Rey, T., Finzel, B.C.

Description: Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 28
[[Category: Unreleased Structures]]
[[Category: De La Mora-Rey, T]]
[[Category: Finzel, B.C]]