4e5d - Revision history

OCA at 14:52, 14 March 2024

2024-03-14T14:52:54Z

←Older revision		Revision as of 14:52, 14 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E5D FirstGlance]. <br>		<table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E5D FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</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]] 2.201Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</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=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [https://pdbe.org/4e5d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [https://www.ebi.ac.uk/pdbsum/4e5d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e5d 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=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [https://pdbe.org/4e5d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [https://www.ebi.ac.uk/pdbsum/4e5d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e5d ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY]] Produces green light with a wavelength of 562 nm.	+	[https://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY] Produces green light with a wavelength of 562 nm.
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Firefly luciferase (FLuc) is frequently used as a reporter in high-throughput screening assays, owing to the exceptional sensitivity, dynamic range, and rapid measurement that bioluminescence affords. However, interaction of small molecules with FLuc has, to some extent, confounded its use in chemical biology and drug discovery. To identify and characterize chemotypes interacting with FLuc, we determined potency values for 360,864 compounds found in the NIH Molecular Libraries Small Molecule Repository, available in PubChem. FLuc inhibitory activity was observed for 12% of this library with discernible SAR. Characterization of 151 inhibitors demonstrated a variety of inhibition modes, including FLuc-catalyzed formation of multisubstrate adduct enzyme inhibitor complexes. As in some cell-based FLuc reporter assays, compounds acting as FLuc inhibitors yield paradoxical luminescence increases, thus data on compounds acquired from FLuc-dependent assays require careful analysis as described here.	+
-		+
-	Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter.,Thorne N, Shen M, Lea WA, Simeonov A, Lovell S, Auld DS, Inglese J Chem Biol. 2012 Aug 24;19(8):1060-72. PMID:22921073<ref>PMID:22921073</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 4e5d" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Luciferase 3D structures\|Luciferase 3D structures]]		*[[Luciferase 3D structures\|Luciferase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:50, 28 September 2022

2022-09-28T06:50:56Z

←Older revision		Revision as of 06:50, 28 September 2022
Line 3:		Line 3:
	<StructureSection load='4e5d' size='340' side='right'caption='[[4e5d]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4e5d' size='340' side='right'caption='[[4e5d]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4E5D FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E5D FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </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=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [https://pdbe.org/4e5d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [https://www.ebi.ac.uk/pdbsum/4e5d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e5d 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=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [~~http~~://pdbe.org/4e5d PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4e5d PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4e5d ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY]] Produces green light with a wavelength of 562 nm.	+	[[https://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY]] Produces green light with a wavelength of 562 nm.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 20:

	==See Also==		==See Also==
-	*[[Luciferase\|Luciferase]]	+	*[[Luciferase 3D structures\|Luciferase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 28:		Line 27:
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Photinus pyralis]]		[[Category: Photinus pyralis]]
-	[[Category: Auld~~, D S~~]]	+	[[Category: Auld DS]]
-	[[Category: Battaile~~, K P~~]]	+	[[Category: Battaile KP]]
-	[[Category: Inglese, J]]	+	[[Category: Inglese J]]
-	[[Category: Lovell, S]]	+	[[Category: Lovell S]]
-	[[Category: Shen, M]]	+	[[Category: Shen M]]
-	[[Category: Throne, N]]	+	[[Category: Throne N]]
-	~~[[Category: Adenylate forming enzyme]]~~	+
-	~~[[Category: Firefly luciferase]]~~	+
-	~~[[Category: Luciferase]]~~	+
-	~~[[Category: Luminescence]]~~	+
-	~~[[Category: Monooxygenase]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]~~	+
-	~~[[Category: Photoprotein]]~~	+
-	~~[[Category: Profiling]]~~	+
-	~~[[Category: Pubchem]]~~	+
-	~~[[Category: Qht]]~~	+
-	~~[[Category: Quantitative high-throughput screening]]~~	+
-	~~[[Category: Reporter-gene assay~~]]	+

OCA at 16:28, 28 August 2019

2019-08-28T16:28:26Z

←Older revision		Revision as of 16:28, 28 August 2019
Line 1:		Line 1:

	==2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex==		==2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex==
-	<StructureSection load='4e5d' size='340' side='right' caption='[[4e5d]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='4e5d' size='340' side='right'caption='[[4e5d]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E5D FirstGlance]. <br>		<table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E5D FirstGlance]. <br>
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 4e5d" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4e5d" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Luciferase\|Luciferase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Photinus pyralis]]		[[Category: Photinus pyralis]]
	[[Category: Auld, D S]]		[[Category: Auld, D S]]

OCA at 07:59, 15 November 2017

2017-11-15T07:59:38Z

←Older revision		Revision as of 07:59, 15 November 2017
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 4e5d" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4e5d" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Luciferase\|Luciferase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 15:58, 4 August 2016

2016-08-04T15:58:07Z

←Older revision		Revision as of 15:58, 4 August 2016
Line 1:		Line 1:
		+
	==2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex==		==2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex==
	<StructureSection load='4e5d' size='340' side='right' caption='[[4e5d]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4e5d' size='340' side='right' caption='[[4e5d]], [[Resolution\|resolution]] 2.20Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </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=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [http://www.ebi.ac.uk/pdbsum/4e5d 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=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [http://pdbe.org/4e5d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [http://www.ebi.ac.uk/pdbsum/4e5d PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4e5d ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4e5d" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 10:48, 25 December 2014

2014-12-25T10:48:12Z

←Older revision		Revision as of 10:48, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E5D FirstGlance]. <br>		<table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E5D FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</scene></td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </span></td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [http://www.ebi.ac.uk/pdbsum/4e5d 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=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [http://www.ebi.ac.uk/pdbsum/4e5d PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY]] Produces green light with a wavelength of 562 nm.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Photinus pyralis]]		[[Category: Photinus pyralis]]
-	[[Category: Auld, D S.]]	+	[[Category: Auld, D S]]
-	[[Category: Battaile, K P.]]	+	[[Category: Battaile, K P]]
-	[[Category: Inglese, J.]]	+	[[Category: Inglese, J]]
-	[[Category: Lovell, S.]]	+	[[Category: Lovell, S]]
-	[[Category: Shen, M.]]	+	[[Category: Shen, M]]
-	[[Category: Throne, N.]]	+	[[Category: Throne, N]]
	[[Category: Adenylate forming enzyme]]		[[Category: Adenylate forming enzyme]]
	[[Category: Firefly luciferase]]		[[Category: Firefly luciferase]]

OCA at 10:22, 16 June 2014

2014-06-16T10:22:06Z

←Older revision		Revision as of 10:22, 16 June 2014
Line 1:		Line 1:
-	[[~~Image:~~4e5d.~~png~~\|~~left\|200px~~]]	+	==2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex==
		+	<StructureSection load='4e5d' size='340' side='right' caption='[[4e5d]], [[Resolution\|resolution]] 2.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E5D FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</scene><br>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </span></td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [http://www.ebi.ac.uk/pdbsum/4e5d PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Firefly luciferase (FLuc) is frequently used as a reporter in high-throughput screening assays, owing to the exceptional sensitivity, dynamic range, and rapid measurement that bioluminescence affords. However, interaction of small molecules with FLuc has, to some extent, confounded its use in chemical biology and drug discovery. To identify and characterize chemotypes interacting with FLuc, we determined potency values for 360,864 compounds found in the NIH Molecular Libraries Small Molecule Repository, available in PubChem. FLuc inhibitory activity was observed for 12% of this library with discernible SAR. Characterization of 151 inhibitors demonstrated a variety of inhibition modes, including FLuc-catalyzed formation of multisubstrate adduct enzyme inhibitor complexes. As in some cell-based FLuc reporter assays, compounds acting as FLuc inhibitors yield paradoxical luminescence increases, thus data on compounds acquired from FLuc-dependent assays require careful analysis as described here.

-	~~{{STRUCTURE_4e5d\| PDB=4e5d \| SCENE= }}~~	+	Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter.,Thorne N, Shen M, Lea WA, Simeonov A, Lovell S, Auld DS, Inglese J Chem Biol. 2012 Aug 24;19(8):1060-72. PMID:22921073<ref>PMID:22921073</ref>

-	~~===2~~.~~2A resolution structure~~ of ~~a firefly luciferase-benzothiazole inhibitor complex===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-	~~{{ABSTRACT_PUBMED_22921073}}~~	+	==See Also==
-		+	*[[Luciferase\|Luciferase]]
-	==~~About this Structure~~==	+	== References ==
-	[[~~4e5d~~]] ~~is a 1 chain structure with sequence from [http:~~//~~en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA].~~	+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Photinus pyralis]]		[[Category: Photinus pyralis]]
	[[Category: Auld, D S.]]		[[Category: Auld, D S.]]

OCA at 05:12, 12 September 2012

2012-09-12T05:12:26Z

←Older revision		Revision as of 05:12, 12 September 2012
Line 1:		Line 1:
-	[[Image:4e5d.~~jpg~~\|left\|200px]]	+	[[Image:4e5d.png\|left\|200px]]

	{{STRUCTURE_4e5d\| PDB=4e5d \| SCENE= }}		{{STRUCTURE_4e5d\| PDB=4e5d \| SCENE= }}
Line 5:		Line 5:
	===2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex===		===2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex===

		+	{{ABSTRACT_PUBMED_22921073}}

	==About this Structure==		==About this Structure==

OCA at 05:36, 5 September 2012

2012-09-05T05:36:31Z

←Older revision		Revision as of 05:36, 5 September 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:4e5d.jpg\|left\|200px]]

-	~~The entry~~ 4e5d ~~is ON HOLD~~ ~~until Paper Publication~~	+	{{STRUCTURE_4e5d\| PDB=4e5d \| SCENE= }}

-	~~Authors: Lovell, S., Battaile, K.P., Throne, N., Shen, M., Auld, D.S., Inglese, J~~.	+	===2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex===

-	~~Description~~: 2.~~2A resolution structure of a firefly~~ luciferase-~~benzothiazole~~ inhibitor complex	+
		+	==About this Structure==
		+	[[4e5d]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA].
		+	[[Category: Photinus pyralis]]
		+	[[Category: Auld, D S.]]
		+	[[Category: Battaile, K P.]]
		+	[[Category: Inglese, J.]]
		+	[[Category: Lovell, S.]]
		+	[[Category: Shen, M.]]
		+	[[Category: Throne, N.]]
		+	[[Category: Adenylate forming enzyme]]
		+	[[Category: Firefly luciferase]]
		+	[[Category: Luciferase]]
		+	[[Category: Luminescence]]
		+	[[Category: Monooxygenase]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
		+	[[Category: Photoprotein]]
		+	[[Category: Profiling]]
		+	[[Category: Pubchem]]
		+	[[Category: Qht]]
		+	[[Category: Quantitative high-throughput screening]]
		+	[[Category: Reporter-gene assay]]

OCA at 07:22, 28 March 2012

2012-03-28T07:22:10Z

←Older revision		Revision as of 07:22, 28 March 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4e5d is ON HOLD	+	The entry 4e5d is ON HOLD until Paper Publication

-	Authors: Lovell, ~~Scott~~, Battaile, ~~Kevin~~ P., Throne, ~~Natasha~~, Shen, ~~Min~~, Auld, ~~Douglas~~ S., Inglese, ~~James~~	+	Authors: Lovell, S., Battaile, K.P., Throne, N., Shen, M., Auld, D.S., Inglese, J.

	Description: 2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex		Description: 2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex