6k3l - Revision history

OCA at 10:26, 22 November 2023

OCA — Wed, 22 Nov 2023 10:26:17 GMT

←Older revision		Revision as of 10:26, 22 November 2023
Line 3:		Line 3:
	<StructureSection load='6k3l' size='340' side='right'caption='[[6k3l]], [[Resolution\|resolution]] 2.09Å' scene=''>		<StructureSection load='6k3l' size='340' side='right'caption='[[6k3l]], [[Resolution\|resolution]] 2.09Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6k3l]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Cryptococcus_neoformans_var.~~_grubii_bt85~~ Cryptococcus neoformans var. grubii ~~bt85~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6K3L OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6K3L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6k3l]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Cryptococcus_neoformans_var._grubii_H99 Cryptococcus neoformans var. grubii H99]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6K3L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6K3L FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3NG:5-[(3-CHLOROPHENYL)AMINO]BENZO[C][2,6]NAPHTHYRIDINE-8-CARBOXYLIC+ACID'>3NG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 2.09Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CNAG_05694 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1230076 Cryptococcus neoformans var. grubii Bt85])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3NG:5-[(3-CHLOROPHENYL)AMINO]BENZO[C][2,6]NAPHTHYRIDINE-8-CARBOXYLIC+ACID'>3NG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=6k3l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6k3l OCA], [~~http~~://pdbe.org/6k3l PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6k3l RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6k3l PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6k3l 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=6k3l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6k3l OCA], [https://pdbe.org/6k3l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6k3l RCSB], [https://www.ebi.ac.uk/pdbsum/6k3l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6k3l ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/J9VNH4_CRYNH J9VNH4_CRYNH]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Cryptococcus neoformans var. grubii ~~bt85~~]]	+	[[Category: Cryptococcus neoformans var. grubii H99]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cho~~, H S~~]]	+	[[Category: Cho HS]]
-	[[Category: Yoo, Y]]	+	[[Category: Yoo Y]]
-	~~[[Category: Kinase]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 17:30, 20 November 2019

OCA — Wed, 20 Nov 2019 17:30:03 GMT

←Older revision		Revision as of 17:30, 20 November 2019
Line 3:		Line 3:
	<StructureSection load='6k3l' size='340' side='right'caption='[[6k3l]], [[Resolution\|resolution]] 2.09Å' scene=''>		<StructureSection load='6k3l' size='340' side='right'caption='[[6k3l]], [[Resolution\|resolution]] 2.09Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6k3l]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6K3L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6K3L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6k3l]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Cryptococcus_neoformans_var._grubii_bt85 Cryptococcus neoformans var. grubii bt85]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6K3L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6K3L FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3NG:5-[(3-CHLOROPHENYL)AMINO]BENZO[C][2,6]NAPHTHYRIDINE-8-CARBOXYLIC+ACID'>3NG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3NG:5-[(3-CHLOROPHENYL)AMINO]BENZO[C][2,6]NAPHTHYRIDINE-8-CARBOXYLIC+ACID'>3NG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CNAG_05694 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1230076 Cryptococcus neoformans var. grubii Bt85])</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=6k3l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6k3l OCA], [http://pdbe.org/6k3l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6k3l RCSB], [http://www.ebi.ac.uk/pdbsum/6k3l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6k3l 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=6k3l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6k3l OCA], [http://pdbe.org/6k3l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6k3l RCSB], [http://www.ebi.ac.uk/pdbsum/6k3l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6k3l ProSAT]</span></td></tr>
	</table>		</table>
Line 20:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Cryptococcus neoformans var. grubii bt85]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Cho, H S]]		[[Category: Cho, H S]]
		+	[[Category: Yoo, Y]]
	[[Category: Kinase]]		[[Category: Kinase]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 06:40, 6 November 2019

OCA — Wed, 06 Nov 2019 06:40:35 GMT

←Older revision		Revision as of 06:40, 6 November 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6k3l is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of CX-4945 bound Cka1 from C. neoformans==
		+	<StructureSection load='6k3l' size='340' side='right'caption='[[6k3l]], [[Resolution\|resolution]] 2.09Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6k3l]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6K3L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6K3L FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3NG:5-[(3-CHLOROPHENYL)AMINO]BENZO[C][2,6]NAPHTHYRIDINE-8-CARBOXYLIC+ACID'>3NG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=6k3l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6k3l OCA], [http://pdbe.org/6k3l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6k3l RCSB], [http://www.ebi.ac.uk/pdbsum/6k3l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6k3l ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	CK2alpha is a constitutively active and highly conserved serine/threonine protein kinase that is involved in the regulation of key cellular metabolic pathways and associated with a variety of tumours and cancers. The most well-known CK2alpha inhibitor is the human clinical trial candidate CX-4945, which has recently shown to exhibit not only anti-cancer, but also anti-fungal properties. This prompted us to work on the CK2alpha orthologue, Cka1, from the pathogenic fungus Cryptococcus neoformans, which causes life-threatening systemic cryptococcosis and meningoencephalitis mainly in immunocompromised individuals. At present, treatment of cryptococcosis remains a challenge due to limited anti-cryptococcal therapeutic strategies. Hence, expanding therapeutic options for the treatment of the disease is highly clinically relevant. Herein, we report the structures of Cka1-AMPPNP-Mg(2+) (2.40 A) and Cka1-CX-4945 (2.09 A). Structural comparisons of Cka1-AMPPNP-Mg(2+) with other orthologues revealed the dynamic architecture of the N-lobe across species. This may explain for the difference in binding affinities and deviations in protein-inhibitor interactions between Cka1-CX-4945 and human CK2alpha-CX-4945. Supporting it, in vitro kinase assay demonstrated that CX-4945 inhibited human CK2alpha much more efficiently than Cka1. Our results provide structural insights into the design of more selective inhibitors against Cka1.

-	~~Authors: Cho~~, H.S.	+	Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans.,Ong BX, Yoo Y, Han MG, Park JB, Choi MK, Choi Y, Shin JS, Bahn YS, Cho HS Sci Rep. 2019 Oct 7;9(1):14398. doi: 10.1038/s41598-019-50678-z. PMID:31591414<ref>PMID:31591414</ref>

-	~~Description: Crystal structure~~ of ~~CX-4945 bound Cka1 from C~~. ~~neoformans~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: Cho, H.S]]	+	<div class="pdbe-citations 6k3l" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Cho, H S]]
		+	[[Category: Kinase]]
		+	[[Category: Transferase]]

OCA at 06:30, 2 October 2019

OCA — Wed, 02 Oct 2019 06:30:20 GMT

←Older revision		Revision as of 06:30, 2 October 2019
Line 5:		Line 5:
	Authors: Cho, H.S.		Authors: Cho, H.S.

-	Description: Crystal structure of CX-4945 bound ~~CKa1 alpha~~ from C. neoformans	+	Description: Crystal structure of CX-4945 bound Cka1 from C. neoformans
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Cho, H.S]]		[[Category: Cho, H.S]]

OCA at 20:58, 5 June 2019

OCA — Wed, 05 Jun 2019 20:58:18 GMT

←Older revision		Revision as of 20:58, 5 June 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6k3l is ON HOLD	+	The entry 6k3l is ON HOLD until Paper Publication

	Authors: Cho, H.S.		Authors: Cho, H.S.

OCA: Protected "6k3l" [edit=sysop:move=sysop]

OCA — Wed, 29 May 2019 04:25:29 GMT

Protected "6k3l" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:25, 29 May 2019

OCA: New page: '''Unreleased structure''' The entry 6k3l is ON HOLD Authors: Cho, H.S. Description: Crystal structure of CX-4945 bound CKa1 alpha from C. neoformans [[Category: Unreleased Structures]...

OCA — Wed, 29 May 2019 04:25:27 GMT

New page: '''Unreleased structure''' The entry 6k3l is ON HOLD Authors: Cho, H.S. Description: Crystal structure of CX-4945 bound CKa1 alpha from C. neoformans [[Category: Unreleased Structures]...

New page

'''Unreleased structure'''

The entry 6k3l is ON HOLD

Authors: Cho, H.S.

Description: Crystal structure of CX-4945 bound CKa1 alpha from C. neoformans
[[Category: Unreleased Structures]]
[[Category: Cho, H.S]]