3mtf - Revision history

OCA at 16:39, 1 November 2023

2023-11-01T16:39:12Z

← Older revision		Revision as of 16:39, 1 November 2023
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	==Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor==		==Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor==
	<StructureSection load='3mtf' size='340' side='right' caption='[[3mtf]], [[Resolution\|resolution]] 2.15Å' scene=''>		<StructureSection load='3mtf' size='340' side='right'caption='[[3mtf]], [[Resolution\|resolution]] 2.15Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3mtf]] is a 2 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=3MTF OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3MTF FirstGlance]. <br>		<table><tr><td colspan='2'>[[3mtf]] 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=3MTF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3MTF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A3F:3-[6-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]PHENOL'>A3F</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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]] 2.15Å</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACVR1, ACVRLK2 ([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=A3F:3-[6-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]PHENOL'>A3F</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [http://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=3mtf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mtf OCA], [https://pdbe.org/3mtf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3mtf RCSB], [https://www.ebi.ac.uk/pdbsum/3mtf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3mtf 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=3mtf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mtf OCA], [~~http~~://pdbe.org/3mtf PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3mtf RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3mtf PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3mtf ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
	[~~[http~~://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] Fibrodysplasia ossificans progressiva. Defects in ACVR1 are a cause of fibrodysplasia ossificans progressiva (FOP) [MIM:[~~http~~://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 ==
	[~~[http~~://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).
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Human~~]]		[[Category: Homo sapiens]]
	[[Category: ~~Receptor protein serine/threonine kinase~~]]		[[Category: Large Structures]]
	[[Category: Alfano, I]]		[[Category: Alfano I]]
	[[Category: Arrowsmith~~, C H~~]]		[[Category: Arrowsmith CH]]
	[[Category: Bountra, C]]		[[Category: Bountra C]]
	[[Category: Bullock, A]]		[[Category: Bullock A]]
	[[Category: Canning, P]]		[[Category: Canning P]]
	[[Category: Chaikuad, A]]		[[Category: Chaikuad A]]
	[[Category: Cooper, C]]		[[Category: Cooper C]]
	[[Category: Daga, N]]		[[Category: Daga N]]
	~~[[Category: Delft, F von~~]]		[[Category: Edwards AM]]
	[[Category: Edwards~~, A M~~]]		[[Category: Knapp S]]
	[[Category: Knapp, S]]		[[Category: Krojer T]]
	[[Category: Krojer, T]]		[[Category: Mahajan P]]
	[[Category: Mahajan, P]]		[[Category: Petrie K]]
	[[Category: Petrie, K]]		[[Category: Sanvitale C]]
	~~[[Category: Structural genomic~~]]		[[Category: Vollmar M]]
	[[Category: Sanvitale, C]]		[[Category: Weigelt J]]
	[[Category: Vollmar, M]]		[[Category: Von Delft F]]
	[[Category: Weigelt, J]]
	[[Category: ~~Protein kinase]]~~
	~~[[Category: Sgc]]~~
	~~[[Category: Transferase~~]]

OCA at 13:20, 16 January 2019

2019-01-16T13:20:41Z

← Older revision		Revision as of 13:20, 16 January 2019
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	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/mt/3mtf_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/mt/3mtf_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>

OCA at 22:51, 5 August 2016

2016-08-05T22:51:17Z

← Older revision		Revision as of 22:51, 5 August 2016
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	==Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor==		==Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor==
	<StructureSection load='3mtf' size='340' side='right' caption='[[3mtf]], [[Resolution\|resolution]] 2.15Å' scene=''>		<StructureSection load='3mtf' size='340' side='right' caption='[[3mtf]], [[Resolution\|resolution]] 2.15Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACVR1, ACVRLK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACVR1, ACVRLK2 ([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/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.30 2.7.11.30] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [http://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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3mtf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mtf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3mtf RCSB], [http://www.ebi.ac.uk/pdbsum/3mtf 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=3mtf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mtf OCA], [http://pdbe.org/3mtf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3mtf RCSB], [http://www.ebi.ac.uk/pdbsum/3mtf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3mtf ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
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	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3mtf ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	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 3mtf" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 22:59, 3 January 2015

2015-01-03T22:59:50Z

← Older revision		Revision as of 22:59, 3 January 2015
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3mtf]] is a 2 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=3MTF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3MTF FirstGlance]. <br>		<table><tr><td colspan='2'>[[3mtf]] is a 2 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=3MTF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3MTF FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A3F:3-[6-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]PHENOL'>A3F</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A3F:3-[6-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]PHENOL'>A3F</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACVR1, ACVRLK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACVR1, ACVRLK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.30 2.7.11.30] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.30 2.7.11.30] </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=3mtf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mtf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3mtf RCSB], [http://www.ebi.ac.uk/pdbsum/3mtf 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=3mtf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mtf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3mtf RCSB], [http://www.ebi.ac.uk/pdbsum/3mtf PDBsum]</span></td></tr>
	<table>		</table>
	== Disease ==		== Disease ==
	[[http://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] Fibrodysplasia ossificans progressiva. Defects in ACVR1 are a cause of fibrodysplasia ossificans progressiva (FOP) [MIM:[http://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>		[[http://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] Fibrodysplasia ossificans progressiva. Defects in ACVR1 are a cause of fibrodysplasia ossificans progressiva (FOP) [MIM:[http://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>
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	[[Category: Human]]		[[Category: Human]]
	[[Category: Receptor protein serine/threonine kinase]]		[[Category: Receptor protein serine/threonine kinase]]
	[[Category: Alfano, I.]]		[[Category: Alfano, I]]
	[[Category: Arrowsmith, C H.]]		[[Category: Arrowsmith, C H]]
	[[Category: Bountra, C.]]		[[Category: Bountra, C]]
	[[Category: Bullock, A.]]		[[Category: Bullock, A]]
	[[Category: Canning, P.]]		[[Category: Canning, P]]
	[[Category: Chaikuad, A.]]		[[Category: Chaikuad, A]]
	[[Category: Cooper, C.]]		[[Category: Cooper, C]]
	[[Category: Daga, N.]]		[[Category: Daga, N]]
	[[Category: Delft, F von.]]		[[Category: Delft, F von]]
	[[Category: Edwards, A M.]]		[[Category: Edwards, A M]]
	[[Category: Knapp, S.]]		[[Category: Knapp, S]]
	[[Category: Krojer, T.]]		[[Category: Krojer, T]]
	[[Category: Mahajan, P.]]		[[Category: Mahajan, P]]
	[[Category: Petrie, K.]]		[[Category: Petrie, K]]
	[[Category: ~~SGC,~~ Structural ~~Genomics Consortium.~~]]		[[Category: Structural genomic]]
	[[Category: Sanvitale, C.]]		[[Category: Sanvitale, C]]
	[[Category: Vollmar, M.]]		[[Category: Vollmar, M]]
	[[Category: Weigelt, J.]]		[[Category: Weigelt, J]]
	[[Category: Protein kinase]]		[[Category: Protein kinase]]
	[[Category: Sgc]]		[[Category: Sgc]]
	~~[[Category: Structural genomic]]~~
	~~[[Category: Structural genomics consortium]]~~
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 05:45, 18 June 2014

2014-06-18T05:45:44Z

← Older revision		Revision as of 05:45, 18 June 2014
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	~~{{STRUCTURE_3mtf\| PDB=3mtf \| SCENE= }}~~		==Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor==
	===Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor===		<StructureSection load='3mtf' size='340' side='right' caption='[[3mtf]], [[Resolution\|resolution]] 2.15Å' scene=''>
			== Structural highlights ==
	==Disease==		<table><tr><td colspan='2'>[[3mtf]] is a 2 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=3MTF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3MTF FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A3F:3-[6-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]PHENOL'>A3F</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene><br>
			<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACVR1, ACVRLK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
			<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.30 2.7.11.30] </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=3mtf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mtf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3mtf RCSB], [http://www.ebi.ac.uk/pdbsum/3mtf PDBsum]</span></td></tr>
			<table>
			== Disease ==
	[[http://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] Fibrodysplasia ossificans progressiva. Defects in ACVR1 are a cause of fibrodysplasia ossificans progressiva (FOP) [MIM:[http://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>		[[http://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] Fibrodysplasia ossificans progressiva. Defects in ACVR1 are a cause of fibrodysplasia ossificans progressiva (FOP) [MIM:[http://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==
	[[http://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).		[[http://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).
			== Evolutionary Conservation ==
			[[Image:Consurf_key_small.gif\|200px\|right]]
			Check<jmol>
			<jmolCheckbox>
			<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/mt/3mtf_consurf.spt"</scriptWhenChecked>
			<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
			<text>to colour the structure by Evolutionary Conservation</text>
			</jmolCheckbox>
			</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
			<div style="clear:both"></div>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Growth factor signaling pathways are tightly regulated by phosphorylation and include many important kinase targets of interest for drug discovery. Small molecule inhibitors of the bone morphogenetic protein (BMP) receptor kinase ALK2 (ACVR1) are needed urgently to treat the progressively debilitating musculoskeletal disease fibrodysplasia ossificans progressiva (FOP). Dorsomorphin analogues, first identified in zebrafish, remain the only BMP inhibitor chemotype reported to date. By screening an assay panel of 250 recombinant human kinases we identified a highly selective 2-aminopyridine-based inhibitor K02288 with in vitro activity against ALK2 at low nanomolar concentrations similar to the current lead compound LDN-193189. K02288 specifically inhibited the BMP-induced Smad pathway without affecting TGF-beta signaling and induced dorsalization of zebrafish embryos. Comparison of the crystal structures of ALK2 with K02288 and LDN-193189 revealed additional contacts in the K02288 complex affording improved shape complementarity and identified the exposed phenol group for further optimization of pharmacokinetics. The discovery of a new chemical series provides an independent pharmacological tool to investigate BMP signaling and offers multiple opportunities for pre-clinical development.

	~~==About this Structure==~~		A new class of small molecule inhibitor of BMP signaling.,Sanvitale CE, Kerr G, Chaikuad A, Ramel MC, Mohedas AH, Reichert S, Wang Y, Triffitt JT, Cuny GD, Yu PB, Hill CS, Bullock AN PLoS One. 2013 Apr 30;8(4):e62721. doi: 10.1371/journal.pone.0062721. Print 2013. PMID:23646137<ref>PMID:23646137</ref>
	~~[[3mtf]] is a 2 chain structure with sequence from [http~~:~~//en~~.~~wikipedia~~.~~org~~/~~wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http://oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=3MTF OCA].~~

	==~~Reference~~==		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	<references ~~group="xtra"~~/><~~references~~/>		</div>
	[[Category: ~~Homo sapiens~~]]		== References ==
			<references/>
			__TOC__
			</StructureSection>
			[[Category: Human]]
	[[Category: Receptor protein serine/threonine kinase]]		[[Category: Receptor protein serine/threonine kinase]]
	[[Category: Alfano, I.]]		[[Category: Alfano, I.]]

OCA: Protected "3mtf" [edit=sysop:move=sysop]

2013-04-17T21:17:07Z

Protected "3mtf" [edit=sysop:move=sysop]

← Older revision	Revision as of 21:17, 17 April 2013
(No difference)

OCA at 21:17, 17 April 2013

2013-04-17T21:17:04Z

← Older revision		Revision as of 21:17, 17 April 2013
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	~~{{Seed}}~~
	~~[[Image:3mtf.jpg\|left\|200px]]~~

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_3mtf", creates the "Structure Box" on the page.~~
	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~
	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~
	~~or leave the SCENE parameter empty for the default display.~~
	~~-->~~
	{{STRUCTURE_3mtf\| PDB=3mtf \| SCENE= }}		{{STRUCTURE_3mtf\| PDB=3mtf \| SCENE= }}
			===Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor===

	===~~Crystal structure~~ of ~~the ACVR1 kinase~~ in ~~complex with a 2~~-~~aminopyridine inhibitor===~~		==Disease==
			[[http://www.uniprot.org/uniprot/ACVR1_HUMAN ACVR1_HUMAN]] Fibrodysplasia ossificans progressiva. Defects in ACVR1 are a cause of fibrodysplasia ossificans progressiva (FOP) [MIM:[http://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==
			[[http://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).

	==About this Structure==		==About this Structure==
	~~3MTF~~ is a 2 ~~chains~~ structure with ~~sequences~~ from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MTF OCA].		[[3mtf]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MTF OCA].

			==Reference==
			<references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Receptor protein serine/threonine kinase]]		[[Category: Receptor protein serine/threonine kinase]]
Line 40:		Line 38:
	[[Category: Structural genomics consortium]]		[[Category: Structural genomics consortium]]
	[[Category: Transferase]]		[[Category: Transferase]]

	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 23 08:52:24 2010''~~

OCA at 04:47, 23 June 2010

2010-06-23T04:47:06Z

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+{{Seed}}
-The entry 3mtf is ON HOLD
+<!--
-Authors: Chaikuad, A., Sanvitale, C., Cooper, C., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Canning, P., Krojer, T., Vollmar, M., Knapp, S., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium
+===Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor===
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu May 20 09:18:24 2010''
+==About this Structure==

OCA at 06:18, 20 May 2010

2010-05-20T06:18:24Z

← Older revision		Revision as of 06:18, 20 May 2010
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	The entry 3mtf is ON HOLD		The entry 3mtf is ON HOLD

	Authors: Chaikuad, A., Sanvitale, C., Cooper, C., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Canning, P., Krojer, T., Vollmar, M., Knapp, S., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium,		Authors: Chaikuad, A., Sanvitale, C., Cooper, C., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Canning, P., Krojer, T., Vollmar, M., Knapp, S., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium

	Description: Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor		Description: Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor

	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Wed~~ May ~~12 10~~:47:16 2010''		''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu May 20 09:18:24 2010''

OCA: New page: '''Unreleased structure''' The entry 3mtf is ON HOLD Authors: Chaikuad, A., Sanvitale, C., Cooper, C., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Canning, P., Krojer, T., Vollmar, M...

2010-05-12T07:47:16Z

New page: '''Unreleased structure''' The entry 3mtf is ON HOLD Authors: Chaikuad, A., Sanvitale, C., Cooper, C., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Canning, P., Krojer, T., Vollmar, M...

New page

'''Unreleased structure'''

The entry 3mtf is ON HOLD

Authors: Chaikuad, A., Sanvitale, C., Cooper, C., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Canning, P., Krojer, T., Vollmar, M., Knapp, S., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium,

Description: Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 12 10:47:16 2010''