4pie - Revision history

OCA at 07:17, 27 September 2023

2023-09-27T07:17:13Z

←Older revision		Revision as of 07:17, 27 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4pie]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_adenovirus_2 Human adenovirus 2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PIE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PIE FirstGlance]. <br>		<table><tr><td colspan='2'>[[4pie]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_adenovirus_2 Human adenovirus 2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PIE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PIE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3FO:N-{(2S)-2-(3-CHLOROPHENYL)-2-[(METHYLSULFONYL)AMINO]ACETYL}-L-PHENYLALANYL-N-[(2Z)-2-IMINOETHYL]GLYCINAMIDE'>3FO</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.94Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3FO:N-{(2S)-2-(3-CHLOROPHENYL)-2-[(METHYLSULFONYL)AMINO]ACETYL}-L-PHENYLALANYL-N-[(2Z)-2-IMINOETHYL]GLYCINAMIDE'>3FO</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [https://pdbe.org/4pie PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [https://www.ebi.ac.uk/pdbsum/4pie PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pie 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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [https://pdbe.org/4pie PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [https://www.ebi.ac.uk/pdbsum/4pie PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pie ProSAT]</span></td></tr>
	</table>		</table>

OCA at 13:05, 1 February 2023

2023-02-01T13:05:46Z

←Older revision		Revision as of 13:05, 1 February 2023
Line 1:		Line 1:

	==Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor==		==Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor==
-	<StructureSection load='4pie' size='340' side='right' caption='[[4pie]], [[Resolution\|resolution]] 1.94Å' scene=''>	+	<StructureSection load='4pie' size='340' side='right'caption='[[4pie]], [[Resolution\|resolution]] 1.94Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4pie]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Ade02 Ade02~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PIE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4PIE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4pie]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_adenovirus_2 Human adenovirus 2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PIE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PIE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3FO:N-{(2S)-2-(3-CHLOROPHENYL)-2-[(METHYLSULFONYL)AMINO]ACETYL}-L-PHENYLALANYL-N-[(2Z)-2-IMINOETHYL]GLYCINAMIDE'>3FO</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3FO:N-{(2S)-2-(3-CHLOROPHENYL)-2-[(METHYLSULFONYL)AMINO]ACETYL}-L-PHENYLALANYL-N-[(2Z)-2-IMINOETHYL]GLYCINAMIDE'>3FO</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4piq\|4piq]], [[4pis\|4pis]]</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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [https://pdbe.org/4pie PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [https://www.ebi.ac.uk/pdbsum/4pie PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pie ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">L3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10515 ADE02])</td></tr>~~	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenain Adenain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.39 3.4.22.39] </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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [~~http~~://pdbe.org/4pie PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4pie PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4pie ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/PRO_ADE02 PRO_ADE02]] Cleaves viral precursor proteins (pTP, pIIIa, pVI, pVII, pVIII, and pX) inside newly assembled particles giving rise to mature virions. Protease complexed to its cofactor slides along the viral DNA to specifically locate and cleave the viral precursors. Mature virions have a weakened organization compared to the unmature virions, thereby facilitating subsequent uncoating. Without maturation, the particle lacks infectivity and is unable to uncoat. Late in adenovirus infection, in the cytoplasm, may participate in the cytoskeleton destruction. Cleaves host cells cytoskeletal keratins K7 and K18.<ref>PMID:22791715</ref> [[http://www.uniprot.org/uniprot/CAP6_ADE02 CAP6_ADE02]] Pre-protein VI: During virus assembly, promotes hexon trimers nuclear import through nuclear pore complexes via an importin alpha/beta-dependent mechanism. By analogy to herpesviruses capsid assembly, might act as a scaffold protein to promote the formation of the icosahedral capsid.<ref>PMID:14633984</ref> <ref>PMID:15681401</ref> <ref>PMID:20333243</ref> <ref>PMID:20409568</ref> <ref>PMID:21209115</ref> <ref>PMID:21843868</ref> Endosome lysis protein: Structural component of the virion that provides increased stability to the particle shell through its interaction with the core-capsid bridging protein. Fibers shedding during virus entry into host cell allows the endosome lysis protein to be exposed as a membrane-lytic peptide. Exhibits pH-independent membrane fragmentation activity and probably mediates viral rapid escape from host endosome via organellar membrane lysis. It is not clear if it then remains partially associated with the capsid and involved in the intracellular microtubule-dependent transport of capsid to the nucleus, or if it is lost during endosomal penetration.<ref>PMID:14633984</ref> <ref>PMID:15681401</ref> <ref>PMID:20333243</ref> <ref>PMID:20409568</ref> <ref>PMID:21209115</ref> <ref>PMID:21843868</ref> Protease cofactor: Cofactor that activates the viral protease. Binds to viral protease in a 1:1 ratio.<ref>PMID:14633984</ref> <ref>PMID:15681401</ref> <ref>PMID:20333243</ref> <ref>PMID:20409568</ref> <ref>PMID:21209115</ref> <ref>PMID:21843868</ref>	+	[https://www.uniprot.org/uniprot/PRO_ADE02 PRO_ADE02] Cleaves viral precursor proteins (pTP, pIIIa, pVI, pVII, pVIII, and pX) inside newly assembled particles giving rise to mature virions. Protease complexed to its cofactor slides along the viral DNA to specifically locate and cleave the viral precursors. Mature virions have a weakened organization compared to the unmature virions, thereby facilitating subsequent uncoating. Without maturation, the particle lacks infectivity and is unable to uncoat. Late in adenovirus infection, in the cytoplasm, may participate in the cytoskeleton destruction. Cleaves host cells cytoskeletal keratins K7 and K18.<ref>PMID:22791715</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Ade02~~]]	+	[[Category: Human adenovirus 2]]
-	[[Category: ~~Adenain~~]]	+	[[Category: Large Structures]]
-	[[Category: Altmann, E]]	+	[[Category: Altmann E]]
-	[[Category: Bernardi, A]]	+	[[Category: Bernardi A]]
-	[[Category: Combrink, C]]	+	[[Category: Combrink C]]
-	[[Category: Ellis, D]]	+	[[Category: Ellis D]]
-	[[Category: Erbel, C]]	+	[[Category: Erbel C]]
-	[[Category: Grosche, P]]	+	[[Category: Grosche P]]
-	[[Category: Hughes, N]]	+	[[Category: Hughes N]]
-	[[Category: Jarousse, N]]	+	[[Category: Jarousse N]]
-	[[Category: ~~Melkko, S]]~~	+	[[Category: Mac Sweeney A]]
-	~~[[Category: Ramage, P]]~~	+	[[Category: Melkko S]]
-	~~[[Category: Sirockin, F]]~~	+	[[Category: Ramage P]]
-	~~[[Category:~~ Sweeney, A ~~Mac~~]]	+	[[Category: Sirockin F]]
-	[[Category: ~~Adenovirus~~]]	+
-	[[Category: ~~Cofactor~~]]	+
-	[[Category: ~~Cysteine protease]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Pvic~~]]	+

OCA at 22:36, 15 November 2017

2017-11-15T22:36:36Z

←Older revision		Revision as of 22:36, 15 November 2017
Line 3:		Line 3:
	<StructureSection load='4pie' size='340' side='right' caption='[[4pie]], [[Resolution\|resolution]] 1.94Å' scene=''>		<StructureSection load='4pie' size='340' side='right' caption='[[4pie]], [[Resolution\|resolution]] 1.94Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4pie]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PIE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PIE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4pie]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Ade02 Ade02]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PIE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PIE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3FO:N-{(2S)-2-(3-CHLOROPHENYL)-2-[(METHYLSULFONYL)AMINO]ACETYL}-L-PHENYLALANYL-N-[(2Z)-2-IMINOETHYL]GLYCINAMIDE'>3FO</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3FO:N-{(2S)-2-(3-CHLOROPHENYL)-2-[(METHYLSULFONYL)AMINO]ACETYL}-L-PHENYLALANYL-N-[(2Z)-2-IMINOETHYL]GLYCINAMIDE'>3FO</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4piq\|4piq]], [[4pis\|4pis]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4piq\|4piq]], [[4pis\|4pis]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">L3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10515 ADE02])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenain Adenain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.39 3.4.22.39] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenain Adenain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.39 3.4.22.39] </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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [http://pdbe.org/4pie PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [http://www.ebi.ac.uk/pdbsum/4pie PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pie 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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [http://pdbe.org/4pie PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [http://www.ebi.ac.uk/pdbsum/4pie PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pie ProSAT]</span></td></tr>
Line 24:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Ade02]]
	[[Category: Adenain]]		[[Category: Adenain]]
	[[Category: Altmann, E]]		[[Category: Altmann, E]]

OCA at 21:37, 5 August 2016

2016-08-05T21:37:51Z

←Older revision		Revision as of 21:37, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor==		==Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor==
	<StructureSection load='4pie' size='340' side='right' caption='[[4pie]], [[Resolution\|resolution]] 1.94Å' scene=''>		<StructureSection load='4pie' size='340' side='right' caption='[[4pie]], [[Resolution\|resolution]] 1.94Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4piq\|4piq]], [[4pis\|4pis]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4piq\|4piq]], [[4pis\|4pis]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenain Adenain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.39 3.4.22.39] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenain Adenain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.39 3.4.22.39] </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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [http://www.ebi.ac.uk/pdbsum/4pie 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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [http://pdbe.org/4pie PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [http://www.ebi.ac.uk/pdbsum/4pie PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pie ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 4pie" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 22:07, 25 December 2014

2014-12-25T22:07:39Z

←Older revision		Revision as of 22:07, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4pie]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PIE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PIE FirstGlance]. <br>		<table><tr><td colspan='2'>[[4pie]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PIE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PIE FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3FO:N-{(2S)-2-(3-CHLOROPHENYL)-2-[(METHYLSULFONYL)AMINO]ACETYL}-L-PHENYLALANYL-N-[(2Z)-2-IMINOETHYL]GLYCINAMIDE'>3FO</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3FO:N-{(2S)-2-(3-CHLOROPHENYL)-2-[(METHYLSULFONYL)AMINO]ACETYL}-L-PHENYLALANYL-N-[(2Z)-2-IMINOETHYL]GLYCINAMIDE'>3FO</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4piq\|4piq]], [[4pis\|4pis]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4piq\|4piq]], [[4pis\|4pis]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenain Adenain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.39 3.4.22.39] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenain Adenain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.39 3.4.22.39] </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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [http://www.ebi.ac.uk/pdbsum/4pie 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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [http://www.ebi.ac.uk/pdbsum/4pie PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PRO_ADE02 PRO_ADE02]] Cleaves viral precursor proteins (pTP, pIIIa, pVI, pVII, pVIII, and pX) inside newly assembled particles giving rise to mature virions. Protease complexed to its cofactor slides along the viral DNA to specifically locate and cleave the viral precursors. Mature virions have a weakened organization compared to the unmature virions, thereby facilitating subsequent uncoating. Without maturation, the particle lacks infectivity and is unable to uncoat. Late in adenovirus infection, in the cytoplasm, may participate in the cytoskeleton destruction. Cleaves host cells cytoskeletal keratins K7 and K18.<ref>PMID:22791715</ref> [[http://www.uniprot.org/uniprot/CAP6_ADE02 CAP6_ADE02]] Pre-protein VI: During virus assembly, promotes hexon trimers nuclear import through nuclear pore complexes via an importin alpha/beta-dependent mechanism. By analogy to herpesviruses capsid assembly, might act as a scaffold protein to promote the formation of the icosahedral capsid.<ref>PMID:14633984</ref> <ref>PMID:15681401</ref> <ref>PMID:20333243</ref> <ref>PMID:20409568</ref> <ref>PMID:21209115</ref> <ref>PMID:21843868</ref> Endosome lysis protein: Structural component of the virion that provides increased stability to the particle shell through its interaction with the core-capsid bridging protein. Fibers shedding during virus entry into host cell allows the endosome lysis protein to be exposed as a membrane-lytic peptide. Exhibits pH-independent membrane fragmentation activity and probably mediates viral rapid escape from host endosome via organellar membrane lysis. It is not clear if it then remains partially associated with the capsid and involved in the intracellular microtubule-dependent transport of capsid to the nucleus, or if it is lost during endosomal penetration.<ref>PMID:14633984</ref> <ref>PMID:15681401</ref> <ref>PMID:20333243</ref> <ref>PMID:20409568</ref> <ref>PMID:21209115</ref> <ref>PMID:21843868</ref> Protease cofactor: Cofactor that activates the viral protease. Binds to viral protease in a 1:1 ratio.<ref>PMID:14633984</ref> <ref>PMID:15681401</ref> <ref>PMID:20333243</ref> <ref>PMID:20409568</ref> <ref>PMID:21209115</ref> <ref>PMID:21843868</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 23:
	</StructureSection>		</StructureSection>
	[[Category: Adenain]]		[[Category: Adenain]]
-	[[Category: Altmann, E.]]	+	[[Category: Altmann, E]]
-	[[Category: Bernardi, A.]]	+	[[Category: Bernardi, A]]
-	[[Category: Combrink, C.]]	+	[[Category: Combrink, C]]
-	[[Category: Ellis, D.]]	+	[[Category: Ellis, D]]
-	[[Category: Erbel, C.]]	+	[[Category: Erbel, C]]
-	[[Category: Grosche, P.]]	+	[[Category: Grosche, P]]
-	[[Category: Hughes, N.]]	+	[[Category: Hughes, N]]
-	[[Category: Jarousse, N.]]	+	[[Category: Jarousse, N]]
-	[[Category: Melkko, S.]]	+	[[Category: Melkko, S]]
-	[[Category: Ramage, P.]]	+	[[Category: Ramage, P]]
-	[[Category: Sirockin, F.]]	+	[[Category: Sirockin, F]]
-	[[Category: Sweeney, A Mac~~.]]~~	+	[[Category: Sweeney, A Mac]]
-	~~[[Category: Adenain~~]]	+
	[[Category: Adenovirus]]		[[Category: Adenovirus]]
	[[Category: Cofactor]]		[[Category: Cofactor]]

OCA at 09:51, 10 September 2014

2014-09-10T09:51:20Z

←Older revision		Revision as of 09:51, 10 September 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor==
		+	<StructureSection load='4pie' size='340' side='right' caption='[[4pie]], [[Resolution\|resolution]] 1.94Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4pie]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PIE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PIE FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3FO:N-{(2S)-2-(3-CHLOROPHENYL)-2-[(METHYLSULFONYL)AMINO]ACETYL}-L-PHENYLALANYL-N-[(2Z)-2-IMINOETHYL]GLYCINAMIDE'>3FO</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4piq\|4piq]], [[4pis\|4pis]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenain Adenain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.39 3.4.22.39] </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=4pie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pie OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pie RCSB], [http://www.ebi.ac.uk/pdbsum/4pie PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The cysteine protease adenain is the essential protease of adenovirus and, as such, represents a promising target for the treatment of ocular and other adenoviral infections. Through a concise two-pronged hit discovery approach we identified tetrapeptide nitrile 1 and pyrimidine nitrile 2 as complementary starting points for adenain inhibition. These hits enabled the first high-resolution X-ray cocrystal structures of adenain with inhibitors bound and revealed the binding mode of 1 and 2. The screening hits were optimized by a structure-guided medicinal chemistry strategy into low nanomolar drug-like inhibitors of adenain.

-	~~The entry 4pie is ON HOLD~~	+	Discovery and structure-based optimization of adenain inhibitors.,Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E ACS Med Chem Lett. 2014 Jun 20;5(8):937-41. doi: 10.1021/ml500224t. eCollection, 2014 Aug 14. PMID:25147618<ref>PMID:25147618</ref>

-	~~Authors: Mac Sweeney~~, A.~~, Grosche, P~~., ~~Ellis, D~~., Combrink, C., Erbel, C., Hughes, N., ~~Sirockin, F~~., Melkko, S.~~, Bernardi, A.,~~ Ramage, P., ~~Jarousse, N~~., ~~Altmann, E~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of human adenovirus 2~~ protease ~~a substrate based nitrile~~ inhibitor	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Adenain]]
		+	[[Category: Altmann, E.]]
		+	[[Category: Bernardi, A.]]
		+	[[Category: Combrink, C.]]
		+	[[Category: Ellis, D.]]
		+	[[Category: Erbel, C.]]
		+	[[Category: Grosche, P.]]
		+	[[Category: Hughes, N.]]
		+	[[Category: Jarousse, N.]]
		+	[[Category: Melkko, S.]]
		+	[[Category: Ramage, P.]]
		+	[[Category: Sirockin, F.]]
		+	[[Category: Sweeney, A Mac.]]
		+	[[Category: Adenain]]
		+	[[Category: Adenovirus]]
		+	[[Category: Cofactor]]
		+	[[Category: Cysteine protease]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Pvic]]

OCA at 14:26, 20 August 2014

2014-08-20T14:26:16Z

←Older revision		Revision as of 14:26, 20 August 2014
Line 5:		Line 5:
	Authors: Mac Sweeney, A., Grosche, P., Ellis, D., Combrink, C., Erbel, C., Hughes, N., Sirockin, F., Melkko, S., Bernardi, A., Ramage, P., Jarousse, N., Altmann, E.		Authors: Mac Sweeney, A., Grosche, P., Ellis, D., Combrink, C., Erbel, C., Hughes, N., Sirockin, F., Melkko, S., Bernardi, A., Ramage, P., Jarousse, N., Altmann, E.

-	Description: Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor.	+	Description: Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor

OCA: Protected "4pie" [edit=sysop:move=sysop]

2014-05-14T07:08:51Z

Protected "4pie" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:08, 14 May 2014

OCA: New page: '''Unreleased structure''' The entry 4pie is ON HOLD Authors: Mac Sweeney, A., Grosche, P., Ellis, D., Combrink, C., Erbel, C., Hughes, N., Sirockin, F., Melkko, S., Bernardi, A., Ramag...

2014-05-14T07:08:50Z

New page: '''Unreleased structure''' The entry 4pie is ON HOLD Authors: Mac Sweeney, A., Grosche, P., Ellis, D., Combrink, C., Erbel, C., Hughes, N., Sirockin, F., Melkko, S., Bernardi, A., Ramag...

New page

'''Unreleased structure'''

The entry 4pie is ON HOLD

Authors: Mac Sweeney, A., Grosche, P., Ellis, D., Combrink, C., Erbel, C., Hughes, N., Sirockin, F., Melkko, S., Bernardi, A., Ramage, P., Jarousse, N., Altmann, E.

Description: Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor.