7c3g - Revision history

OCA at 15:53, 29 November 2023

2023-11-29T15:53:50Z

←Older revision		Revision as of 15:53, 29 November 2023
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	<StructureSection load='7c3g' size='340' side='right'caption='[[7c3g]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='7c3g' size='340' side='right'caption='[[7c3g]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7c3g]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7C3G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7C3G FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7c3g]] is a 2 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=7C3G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7C3G 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=FH0:~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine'>FH0</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]] 1.802Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.30 2.7.11.30] </span></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=FH0:~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine'>FH0</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'>[https://proteopedia.org/fgij/fg.htm?mol=7c3g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7c3g OCA], [https://pdbe.org/7c3g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7c3g RCSB], [https://www.ebi.ac.uk/pdbsum/7c3g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7c3g 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=7c3g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7c3g OCA], [https://pdbe.org/7c3g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7c3g RCSB], [https://www.ebi.ac.uk/pdbsum/7c3g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7c3g ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
-	[[https://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] Fibrodysplasia ossificans progressiva. Defects in ACVR1 are a cause of fibrodysplasia ossificans progressiva (FOP) [MIM:[https://omim.org/entry/135100 135100]]. FOP is a rare autosomal dominant disorder of skeletal malformations and progressive extraskeletal ossification. Heterotopic ossification in FOP begins in childhood and can be induced by trauma or may occur without warning. Bone formation is episodic and progressive, leading to extra-articular ankylosis of all major joints of the axial and appendicular skeleton, rendering movement impossible.<ref>PMID:16642017</ref> <ref>PMID:19085907</ref> <ref>PMID:19330033</ref>	+	[https://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN] Fibrodysplasia ossificans progressiva. Defects in ACVR1 are a cause of fibrodysplasia ossificans progressiva (FOP) [MIM:[https://omim.org/entry/135100 135100]. FOP is a rare autosomal dominant disorder of skeletal malformations and progressive extraskeletal ossification. Heterotopic ossification in FOP begins in childhood and can be induced by trauma or may occur without warning. Bone formation is episodic and progressive, leading to extra-articular ankylosis of all major joints of the axial and appendicular skeleton, rendering movement impossible.<ref>PMID:16642017</ref> <ref>PMID:19085907</ref> <ref>PMID:19330033</ref>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] On ligand binding, forms a receptor complex consisting of two type II and two type I transmembrane serine/threonine kinases. Type II receptors phosphorylate and activate type I receptors which autophosphorylate, then bind and activate SMAD transcriptional regulators. Receptor for activin. May be involved for left-right pattern formation during embryogenesis (By similarity).	+	[https://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN] On ligand binding, forms a receptor complex consisting of two type II and two type I transmembrane serine/threonine kinases. Type II receptors phosphorylate and activate type I receptors which autophosphorylate, then bind and activate SMAD transcriptional regulators. Receptor for activin. May be involved for left-right pattern formation during embryogenesis (By similarity).
	<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: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Receptor protein serine/threonine kinase]]~~	+	[[Category: Matsumoto T]]
-	[[Category: Matsumoto, T]]	+	[[Category: Mishima-Tsumagari C]]
-	[[Category: Mishima-Tsumagari, C]]	+	[[Category: Sakai N]]
-	[[Category: Sakai, N]]	+	[[Category: Shirouzu M]]
-	[[Category: Shirouzu, M]]	+
-	~~[[Category: Inhibitor complex]]~~	+
-	~~[[Category: Kinase]]~~	+
-	~~[[Category: Signaling protein~~]]	+

OCA at 18:00, 10 March 2021

2021-03-10T18:00:13Z

←Older revision		Revision as of 18:00, 10 March 2021
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	==Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134==		==Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134==
-	<StructureSection load='7c3g' size='340' side='right'caption='[[7c3g]]' scene=''>	+	<StructureSection load='7c3g' size='340' side='right'caption='[[7c3g]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7C3G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7C3G FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7c3g]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7C3G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7C3G FirstGlance]. <br>
-	</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=7c3g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7c3g OCA], [https://pdbe.org/7c3g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7c3g RCSB], [https://www.ebi.ac.uk/pdbsum/7c3g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7c3g ProSAT]</span></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=FH0:~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine'>FH0</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'>[https://en.wikipedia.org/wiki/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.30 2.7.11.30] </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=7c3g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7c3g OCA], [https://pdbe.org/7c3g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7c3g RCSB], [https://www.ebi.ac.uk/pdbsum/7c3g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7c3g ProSAT]</span></td></tr>
	</table>		</table>
		+	== Disease ==
		+	[[https://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] Fibrodysplasia ossificans progressiva. Defects in ACVR1 are a cause of fibrodysplasia ossificans progressiva (FOP) [MIM:[https://omim.org/entry/135100 135100]]. FOP is a rare autosomal dominant disorder of skeletal malformations and progressive extraskeletal ossification. Heterotopic ossification in FOP begins in childhood and can be induced by trauma or may occur without warning. Bone formation is episodic and progressive, leading to extra-articular ankylosis of all major joints of the axial and appendicular skeleton, rendering movement impossible.<ref>PMID:16642017</ref> <ref>PMID:19085907</ref> <ref>PMID:19330033</ref>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] On ligand binding, forms a receptor complex consisting of two type II and two type I transmembrane serine/threonine kinases. Type II receptors phosphorylate and activate type I receptors which autophosphorylate, then bind and activate SMAD transcriptional regulators. Receptor for activin. May be involved for left-right pattern formation during embryogenesis (By similarity).
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Mutant activin receptor-like kinase-2 (ALK2) is associated with the pathogenesis of fibrodysplasia ossificans progressiva, making it an attractive target for therapeutic intervention. We synthesized a new series of bicyclic pyrazoles and evaluated their mutant ALK2 enzyme inhibitory activities, leading to the identification of 8 as the most potent inhibitor. This compound showed moderate microsomal metabolic stability and human ether-a-go-go related gene (hERG) safety. In C2C12 cells carrying mutant ALK2 (R206H), 8 efficiently inhibited the bone morphogenetic protein (BMP)-induced alkaline phosphatase activity.
		+
		+	Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.,Yamamoto H, Sakai N, Ohte S, Sato T, Sekimata K, Matsumoto T, Nakamura K, Watanabe H, Mishima-Tsumagari C, Tanaka A, Hashizume Y, Honma T, Katagiri T, Miyazono K, Tomoda H, Shirouzu M, Koyama H Bioorg Med Chem Lett. 2021 Feb 18;38:127858. doi: 10.1016/j.bmcl.2021.127858. PMID:33609658<ref>PMID:33609658</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7c3g" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Matsumoto T]]	+	[[Category: Receptor protein serine/threonine kinase]]
-	[[Category: Mishima-Tsumagari C]]	+	[[Category: Matsumoto, T]]
-	[[Category: Sakai N]]	+	[[Category: Mishima-Tsumagari, C]]
-	[[Category: Shirouzu M]]	+	[[Category: Sakai, N]]
		+	[[Category: Shirouzu, M]]
		+	[[Category: Inhibitor complex]]
		+	[[Category: Kinase]]
		+	[[Category: Signaling protein]]

OCA at 14:45, 3 March 2021

2021-03-03T14:45:09Z

←Older revision		Revision as of 14:45, 3 March 2021
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7c3g is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134==
-		+	<StructureSection load='7c3g' size='340' side='right'caption='[[7c3g]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7C3G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7C3G FirstGlance]. <br>
-	~~Description~~:	+	</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=7c3g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7c3g OCA], [https://pdbe.org/7c3g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7c3g RCSB], [https://www.ebi.ac.uk/pdbsum/7c3g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7c3g ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Matsumoto T]]
		+	[[Category: Mishima-Tsumagari C]]
		+	[[Category: Sakai N]]
		+	[[Category: Shirouzu M]]

OCA at 05:12, 27 May 2020

2020-05-27T05:12:13Z

←Older revision		Revision as of 05:12, 27 May 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7c3g is ON HOLD	+	The entry 7c3g is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7c3g" [edit=sysop:move=sysop]

2020-05-20T04:39:04Z

Protected "7c3g" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:39, 20 May 2020

OCA: New page: '''Unreleased structure''' The entry 7c3g is ON HOLD Authors: Description: Category: Unreleased Structures

2020-05-20T04:39:02Z

New page: '''Unreleased structure''' The entry 7c3g is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7c3g is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]