5hqx - Revision history

OCA at 10:51, 16 August 2023

OCA — Wed, 16 Aug 2023 10:51:14 GMT

←Older revision		Revision as of 10:51, 16 August 2023
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	<StructureSection load='5hqx' size='340' side='right'caption='[[5hqx]], [[Resolution\|resolution]] 2.05Å' scene=''>		<StructureSection load='5hqx' size='340' side='right'caption='[[5hqx]], [[Resolution\|resolution]] 2.05Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5hqx]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Maize Maize~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HQX OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5HQX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5hqx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Zea_mays Zea mays]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HQX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5HQX FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=EDZ:1~~-[~~2-(2-HYDROXYETHYL)PHENYL~~]~~-3-(1,~~2~~,3-THIADIAZOL-5-YL)UREA'>EDZ</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</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]] 2.05Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~>[[4oal\|4oal]], [[4o95\|4o95]], [[5hmr\|5hmr]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDZ:1-[2-(2-HYDROXYETHYL)PHENYL]-3-(1,2,3-THIADIAZOL-5-YL)UREA'>EDZ</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~"><b>[~~[Gene\|Gene:~~]~~]</b></td><td class="sblockDat">CKX4~~ (~~[http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=~~5~~&id=4577 MAIZE]~~)~~</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=5hqx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hqx OCA], [https://pdbe.org/5hqx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5hqx RCSB], [https://www.ebi.ac.uk/pdbsum/5hqx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5hqx ProSAT]</span></td></tr>
-	<~~tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks~~'>~~[http://en.wikipedia.org/wiki/Cytokinin_dehydrogenase Cytokinin dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.99.12 1.5.99.12]~~ </~~span~~></td></tr>	+
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5hqx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hqx OCA], [~~http~~://pdbe.org/5hqx PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5hqx RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5hqx PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5hqx ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/E3T1W8_MAIZE E3T1W8_MAIZE]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Cytokinin dehydrogenase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Maize~~]]	+	[[Category: Zea mays]]
-	[[Category: Briozzo, P]]	+	[[Category: Briozzo P]]
-	[[Category: Koncitikova, R]]	+	[[Category: Koncitikova R]]
-	[[Category: Kopecny, D]]	+	[[Category: Kopecny D]]
-	~~[[Category: Cytokinin degradation]]~~	+
-	~~[[Category: Flavoenzyme]]~~	+
-	~~[[Category: Oxidase/dehydrogenase]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Rossmann fold~~]]	+

OCA at 08:28, 27 May 2020

OCA — Wed, 27 May 2020 08:28:17 GMT

←Older revision		Revision as of 08:28, 27 May 2020
Line 1:		Line 1:

	==Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor HETDZ==		==Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor HETDZ==
-	<StructureSection load='5hqx' size='340' side='right' caption='[[5hqx]], [[Resolution\|resolution]] 2.05Å' scene=''>	+	<StructureSection load='5hqx' size='340' side='right'caption='[[5hqx]], [[Resolution\|resolution]] 2.05Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5hqx]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HQX OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5HQX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5hqx]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Maize Maize]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HQX OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5HQX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDZ:1-[2-(2-HYDROXYETHYL)PHENYL]-3-(1,2,3-THIADIAZOL-5-YL)UREA'>EDZ</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDZ:1-[2-(2-HYDROXYETHYL)PHENYL]-3-(1,2,3-THIADIAZOL-5-YL)UREA'>EDZ</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4oal\|4oal]], [[4o95\|4o95]], [[5hmr\|5hmr]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4oal\|4oal]], [[4o95\|4o95]], [[5hmr\|5hmr]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CKX4 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4577 MAIZE])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cytokinin_dehydrogenase Cytokinin dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.99.12 1.5.99.12] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cytokinin_dehydrogenase Cytokinin dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.99.12 1.5.99.12] </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=5hqx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hqx OCA], [http://pdbe.org/5hqx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hqx RCSB], [http://www.ebi.ac.uk/pdbsum/5hqx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5hqx ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5hqx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hqx OCA], [http://pdbe.org/5hqx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hqx RCSB], [http://www.ebi.ac.uk/pdbsum/5hqx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5hqx ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	</StructureSection>		</StructureSection>
	[[Category: Cytokinin dehydrogenase]]		[[Category: Cytokinin dehydrogenase]]
		+	[[Category: Large Structures]]
		+	[[Category: Maize]]
	[[Category: Briozzo, P]]		[[Category: Briozzo, P]]
	[[Category: Koncitikova, R]]		[[Category: Koncitikova, R]]

OCA at 15:43, 27 July 2016

OCA — Wed, 27 Jul 2016 15:43:07 GMT

←Older revision		Revision as of 15:43, 27 July 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5hqx is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor HETDZ==
		+	<StructureSection load='5hqx' size='340' side='right' caption='[[5hqx]], [[Resolution\|resolution]] 2.05Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5hqx]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HQX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HQX FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDZ:1-[2-(2-HYDROXYETHYL)PHENYL]-3-(1,2,3-THIADIAZOL-5-YL)UREA'>EDZ</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4oal\|4oal]], [[4o95\|4o95]], [[5hmr\|5hmr]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cytokinin_dehydrogenase Cytokinin dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.99.12 1.5.99.12] </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=5hqx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hqx OCA], [http://pdbe.org/5hqx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hqx RCSB], [http://www.ebi.ac.uk/pdbsum/5hqx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5hqx ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	KEY MESSAGE: Two new TDZ derivatives (HETDZ and 3FMTDZ) are very potent inhibitors of CKX and are promising candidates for in vivo studies. Cytokinin hormones regulate a wide range of essential processes in plants. Thidiazuron (N-phenyl-N'-1,2,3-thiadiazol-5-yl urea, TDZ), formerly registered as a cotton defoliant, is a well known inhibitor of cytokinin oxidase/dehydrogenase (CKX), an enzyme catalyzing the degradation of cytokinins. TDZ thus increases the lifetime of cytokinins and their effects in plants. We used in silico modeling to design, synthesize and characterize twenty new TDZ derivatives with improved inhibitory properties. Two compounds, namely 1-[1,2,3]thiadiazol-5-yl-3-(3-trifluoromethoxy-phenyl)urea (3FMTDZ) and 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea (HETDZ), displayed up to 15-fold lower IC 50 values compared with TDZ for AtCKX2 from Arabidopsis thaliana and ZmCKX1 and ZmCKX4a from Zea mays. Binding modes of 3FMTDZ and HETDZ were analyzed by X-ray crystallography. Crystal structure complexes, solved at 2.0 A resolution, revealed that HETDZ and 3FMTDZ bound differently in the active site of ZmCKX4a: the thiadiazolyl ring of 3FMTDZ was positioned over the isoalloxazine ring of FAD, whereas that of HETDZ had the opposite orientation, pointing toward the entrance of the active site. The compounds were further tested for cytokinin activity in several cytokinin bioassays. We suggest that the combination of simple synthesis, lowered cytokinin activity, and enhanced inhibitory effects on CKX isoforms, makes 3FMTDZ and HETDZ suitable candidates for in vivo studies.

-	~~Authors: Kopecny~~, D., Koncitikova, R., ~~Briozzo~~, P.	+	Novel thidiazuron-derived inhibitors of cytokinin oxidase/dehydrogenase.,Nisler J, Kopecny D, Koncitikova R, Zatloukal M, Bazgier V, Berka K, Zalabak D, Briozzo P, Strnad M, Spichal L Plant Mol Biol. 2016 Jul 15. PMID:27422623<ref>PMID:27422623</ref>

-	~~Description: Crystal structure~~ of ~~maize cytokinin oxidase~~/~~dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor HETDZ~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5hqx" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Cytokinin dehydrogenase]]
	[[Category: Briozzo, P]]		[[Category: Briozzo, P]]
	[[Category: Koncitikova, R]]		[[Category: Koncitikova, R]]
	[[Category: Kopecny, D]]		[[Category: Kopecny, D]]
		+	[[Category: Cytokinin degradation]]
		+	[[Category: Flavoenzyme]]
		+	[[Category: Oxidase/dehydrogenase]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Rossmann fold]]

OCA: Protected "5hqx" [edit=sysop:move=sysop]

OCA — Wed, 03 Feb 2016 14:11:18 GMT

Protected "5hqx" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:11, 3 February 2016

OCA: New page: '''Unreleased structure''' The entry 5hqx is ON HOLD until Paper Publication Authors: Kopecny, D., Koncitikova, R., Briozzo, P. Description: Crystal structure of maize cytokinin oxidas...

OCA — Wed, 03 Feb 2016 14:11:17 GMT

New page: '''Unreleased structure''' The entry 5hqx is ON HOLD until Paper Publication Authors: Kopecny, D., Koncitikova, R., Briozzo, P. Description: Crystal structure of maize cytokinin oxidas...

New page

'''Unreleased structure'''

The entry 5hqx is ON HOLD until Paper Publication

Authors: Kopecny, D., Koncitikova, R., Briozzo, P.

Description: Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor HETDZ
[[Category: Unreleased Structures]]
[[Category: Briozzo, P]]
[[Category: Koncitikova, R]]
[[Category: Kopecny, D]]