6t29 - Revision history

OCA at 12:52, 24 January 2024

OCA — Wed, 24 Jan 2024 12:52:53 GMT

←Older revision		Revision as of 12:52, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6t29' size='340' side='right'caption='[[6t29]], [[Resolution\|resolution]] 1.48Å' scene=''>		<StructureSection load='6t29' size='340' side='right'caption='[[6t29]], [[Resolution\|resolution]] 1.48Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6t29]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T29 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6T29 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6t29]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T29 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6T29 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=M8Z:2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide'>M8Z</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]] 1.484Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CAMK1D, CAMKID ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=M8Z:2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide'>M8Z</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </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=6t29 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t29 OCA], [https://pdbe.org/6t29 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6t29 RCSB], [https://www.ebi.ac.uk/pdbsum/6t29 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6t29 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=6t29 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t29 OCA], [~~http~~://pdbe.org/6t29 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6t29 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6t29 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6t29 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/KCC1D_HUMAN KCC1D_HUMAN]] Calcium/calmodulin-dependent protein kinase that operates in the calcium-triggered CaMKK-CaMK1 signaling cascade and, upon calcium influx, activates CREB-dependent gene transcription, regulates calcium-mediated granulocyte function and respiratory burst and promotes basal dendritic growth of hippocampal neurons. In neutrophil cells, required for cytokine-induced proliferative responses and activation of the respiratory burst. Activates the transcription factor CREB1 in hippocampal neuron nuclei. May play a role in apoptosis of erythroleukemia cells. In vitro, phosphorylates transcription factor CREM isoform Beta.<ref>PMID:11050006</ref> <ref>PMID:15840691</ref> <ref>PMID:16324104</ref> <ref>PMID:17056143</ref>	+	[https://www.uniprot.org/uniprot/KCC1D_HUMAN KCC1D_HUMAN] Calcium/calmodulin-dependent protein kinase that operates in the calcium-triggered CaMKK-CaMK1 signaling cascade and, upon calcium influx, activates CREB-dependent gene transcription, regulates calcium-mediated granulocyte function and respiratory burst and promotes basal dendritic growth of hippocampal neurons. In neutrophil cells, required for cytokine-induced proliferative responses and activation of the respiratory burst. Activates the transcription factor CREB1 in hippocampal neuron nuclei. May play a role in apoptosis of erythroleukemia cells. In vitro, phosphorylates transcription factor CREM isoform Beta.<ref>PMID:11050006</ref> <ref>PMID:15840691</ref> <ref>PMID:16324104</ref> <ref>PMID:17056143</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6t29" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6t29" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Calcium/calmodulin dependent protein kinase 3D structures\|Calcium/calmodulin dependent protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Calcium/calmodulin-dependent protein kinase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Arrowsmith~~, C H~~]]	+	[[Category: Arrowsmith CH]]
-	[[Category: Bountra, C]]	+	[[Category: Bountra C]]
-	[[Category: Butterworth, S]]	+	[[Category: Butterworth S]]
-	[[Category: Edwards~~, A M~~]]	+	[[Category: Edwards AM]]
-	[[Category: Knapp, S]]	+	[[Category: Knapp S]]
-	[[Category: Kraemer, A]]	+	[[Category: Kraemer A]]
-	~~[[Category: Structural genomic~~]]	+	[[Category: Sorrell F]]
-	[[Category: Sorrell, F]]	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Kinase]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 11:31, 22 July 2020

OCA — Wed, 22 Jul 2020 11:31:10 GMT

←Older revision		Revision as of 11:31, 22 July 2020
Line 1:		Line 1:

-	==Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 21 (CS587)==	+	==Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587)==
	<StructureSection load='6t29' size='340' side='right'caption='[[6t29]], [[Resolution\|resolution]] 1.48Å' scene=''>		<StructureSection load='6t29' size='340' side='right'caption='[[6t29]], [[Resolution\|resolution]] 1.48Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6t29]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T29 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca.weizmann.ac~~.~~il/oca-docs~~/fgij/fg.htm?mol=6T29 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6t29]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T29 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6T29 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=M8Z:2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide'>M8Z</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" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=M8Z:2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide'>M8Z</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">CAMK1D, CAMKID ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </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=6t29 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t29 OCA], [http://pdbe.org/6t29 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6t29 RCSB], [http://www.ebi.ac.uk/pdbsum/6t29 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6t29 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=6t29 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t29 OCA], [http://pdbe.org/6t29 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6t29 RCSB], [http://www.ebi.ac.uk/pdbsum/6t29 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6t29 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/KCC1D_HUMAN KCC1D_HUMAN]] Calcium/calmodulin-dependent protein kinase that operates in the calcium-triggered CaMKK-CaMK1 signaling cascade and, upon calcium influx, activates CREB-dependent gene transcription, regulates calcium-mediated granulocyte function and respiratory burst and promotes basal dendritic growth of hippocampal neurons. In neutrophil cells, required for cytokine-induced proliferative responses and activation of the respiratory burst. Activates the transcription factor CREB1 in hippocampal neuron nuclei. May play a role in apoptosis of erythroleukemia cells. In vitro, phosphorylates transcription factor CREM isoform Beta.<ref>PMID:11050006</ref> <ref>PMID:15840691</ref> <ref>PMID:16324104</ref> <ref>PMID:17056143</ref>		[[http://www.uniprot.org/uniprot/KCC1D_HUMAN KCC1D_HUMAN]] Calcium/calmodulin-dependent protein kinase that operates in the calcium-triggered CaMKK-CaMK1 signaling cascade and, upon calcium influx, activates CREB-dependent gene transcription, regulates calcium-mediated granulocyte function and respiratory burst and promotes basal dendritic growth of hippocampal neurons. In neutrophil cells, required for cytokine-induced proliferative responses and activation of the respiratory burst. Activates the transcription factor CREB1 in hippocampal neuron nuclei. May play a role in apoptosis of erythroleukemia cells. In vitro, phosphorylates transcription factor CREM isoform Beta.<ref>PMID:11050006</ref> <ref>PMID:15840691</ref> <ref>PMID:16324104</ref> <ref>PMID:17056143</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Polymorphisms in the region of the calmodulin-dependent kinase isoform D (CaMK1D) gene are associated with increased incidence of diabetes, with the most common polymorphism resulting in increased recognition by transcription factors and increased protein expression. While reducing CaMK1D expression has a potentially beneficial effect on glucose processing in human hepatocytes, there are no known selective inhibitors of CaMK1 kinases that can be used to validate or translate these findings. Here we describe the development of a series of potent, selective, and drug-like CaMK1 inhibitors that are able to provide significant free target cover in mouse models and are therefore useful as in vivo tool compounds. Our results show that a lead compound from this series improves insulin sensitivity and glucose control in the diet-induced obesity mouse model after both acute and chronic administration, providing the first in vivo validation of CaMK1D as a target for diabetes therapeutics.
		+
		+	Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesity in Vivo Mouse Model.,Fromont C, Atzori A, Kaur D, Hashmi L, Greco G, Cabanillas A, Nguyen HV, Jones DH, Garzon M, Varela A, Stevenson B, Iacobini GP, Lenoir M, Rajesh S, Box C, Kumar J, Grant P, Novitskaya V, Morgan J, Sorrell FJ, Redondo C, Kramer A, Harris CJ, Leighton B, Vickers SP, Cheetham SC, Kenyon C, Grabowska AM, Overduin M, Berditchevski F, Weston CJ, Knapp S, Fischer PM, Butterworth S J Med Chem. 2020 Jun 22. doi: 10.1021/acs.jmedchem.9b01803. PMID:32433887<ref>PMID:32433887</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6t29" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
Line 15:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Calcium/calmodulin-dependent protein kinase]]		[[Category: Calcium/calmodulin-dependent protein kinase]]
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Arrowsmith, C H]]		[[Category: Arrowsmith, C H]]

OCA at 11:14, 13 November 2019

OCA — Wed, 13 Nov 2019 11:14:13 GMT

←Older revision		Revision as of 11:14, 13 November 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6t29 ~~is ON HOLD~~	+	==Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 21 (CS587)==
-		+	<StructureSection load='6t29' size='340' side='right'caption='[[6t29]], [[Resolution\|resolution]] 1.48Å' scene=''>
-	~~Authors~~: ~~Kraemer, A~~.~~, Sorrell, F~~., ~~Butterworth~~, S., ~~Edwards~~, A.M., ~~Arrowsmith~~, C.H., ~~Bountra~~, C., ~~Knapp~~, S., ~~Structural Genomics Consortium (SGC)~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6t29]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T29 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6T29 FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure of human~~ calmodulin-dependent protein kinase ~~1D (CAMK1D) bound to compound 21 (CS587)~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=M8Z:2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide'>M8Z</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </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=6t29 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t29 OCA], [http://pdbe.org/6t29 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6t29 RCSB], [http://www.ebi.ac.uk/pdbsum/6t29 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6t29 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/KCC1D_HUMAN KCC1D_HUMAN]] Calcium/calmodulin-dependent protein kinase that operates in the calcium-triggered CaMKK-CaMK1 signaling cascade and, upon calcium influx, activates CREB-dependent gene transcription, regulates calcium-mediated granulocyte function and respiratory burst and promotes basal dendritic growth of hippocampal neurons. In neutrophil cells, required for cytokine-induced proliferative responses and activation of the respiratory burst. Activates the transcription factor CREB1 in hippocampal neuron nuclei. May play a role in apoptosis of erythroleukemia cells. In vitro, phosphorylates transcription factor CREM isoform Beta.<ref>PMID:11050006</ref> <ref>PMID:15840691</ref> <ref>PMID:16324104</ref> <ref>PMID:17056143</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Calcium/calmodulin-dependent protein kinase]]
		+	[[Category: Large Structures]]
		+	[[Category: Arrowsmith, C H]]
		+	[[Category: Bountra, C]]
	[[Category: Butterworth, S]]		[[Category: Butterworth, S]]
		+	[[Category: Edwards, A M]]
	[[Category: Knapp, S]]		[[Category: Knapp, S]]
-	[[Category: ~~Edwards~~, A~~.M]]~~	+	[[Category: Kraemer, A]]
-	~~[[Category: Arrowsmith, C.H~~]]	+	[[Category: Structural genomic]]
-	[[Category: Structural ~~Genomics Consortium (Sgc)]]~~	+
-	~~[[Category: Bountra, C~~]]	+
	[[Category: Sorrell, F]]		[[Category: Sorrell, F]]
-	[[Category: ~~Kraemer, A~~]]	+	[[Category: Complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Kinase]]
		+	[[Category: Transferase]]

OCA: Protected "6t29" [edit=sysop:move=sysop]

OCA — Wed, 16 Oct 2019 04:27:45 GMT

Protected "6t29" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:27, 16 October 2019

OCA: New page: '''Unreleased structure''' The entry 6t29 is ON HOLD Authors: Kraemer, A., Sorrell, F., Butterworth, S., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Knapp, S., Structural Genomics Con...

OCA — Wed, 16 Oct 2019 04:27:44 GMT

New page: '''Unreleased structure''' The entry 6t29 is ON HOLD Authors: Kraemer, A., Sorrell, F., Butterworth, S., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Knapp, S., Structural Genomics Con...

New page

'''Unreleased structure'''

The entry 6t29 is ON HOLD

Authors: Kraemer, A., Sorrell, F., Butterworth, S., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)

Description: Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 21 (CS587)
[[Category: Unreleased Structures]]
[[Category: Butterworth, S]]
[[Category: Knapp, S]]
[[Category: Edwards, A.M]]
[[Category: Arrowsmith, C.H]]
[[Category: Structural Genomics Consortium (Sgc)]]
[[Category: Bountra, C]]
[[Category: Sorrell, F]]
[[Category: Kraemer, A]]