5bpe - Revision history

OCA at 09:07, 20 March 2024

2024-03-20T09:07:54Z

←Older revision		Revision as of 09:07, 20 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5bpe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterovirus_A71 Enterovirus A71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BPE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5BPE FirstGlance]. <br>		<table><tr><td colspan='2'>[[5bpe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterovirus_A71 Enterovirus A71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BPE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5BPE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E22:(2~{S})-~{N}-[(1~{R},2~{S})-1-CYANO-1-OXIDANYL-3-[(3~{S})-2-OXIDANYLIDENEPIPERIDIN-3-YL]PROPAN-2-YL]-3-PHENYL-2-[[(~{E})-3-PHENYLPROP-2-ENOYL]AMINO]PROPANAMIDE'>E22</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]] 2.7Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E22:(2~{S})-~{N}-[(1~{R},2~{S})-1-CYANO-1-OXIDANYL-3-[(3~{S})-2-OXIDANYLIDENEPIPERIDIN-3-YL]PROPAN-2-YL]-3-PHENYL-2-[[(~{E})-3-PHENYLPROP-2-ENOYL]AMINO]PROPANAMIDE'>E22</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=5bpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bpe OCA], [https://pdbe.org/5bpe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5bpe RCSB], [https://www.ebi.ac.uk/pdbsum/5bpe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5bpe 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=5bpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bpe OCA], [https://pdbe.org/5bpe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5bpe RCSB], [https://www.ebi.ac.uk/pdbsum/5bpe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5bpe ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/A0A0X1KHD2_HE71 A0A0X1KHD2_HE71]		[https://www.uniprot.org/uniprot/A0A0X1KHD2_HE71 A0A0X1KHD2_HE71]
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Cyanohydrin derivatives as enterovirus 71 (EV71) 3C protease (3Cpro) inhibitors have been synthesized and assayed for their biochemical and antiviral activities. Compared with the reported inhibitors, cyanohydrins (1S,2S,2'S,5S)-16 and (1R,2S,2'S,5S)-16 exhibited significantly improved activity and attractive selectivity profiles against other proteases, which were a result of the specific interactions between the cyanohydrin moiety and the catalytic site of 3Cpro. Cyanohydrin as an anchoring group with high selectivity and excellent inhibitory activity represents a useful choice for cysteine protease inhibitors.
-
-	Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease.,Zhai Y, Zhao X, Cui Z, Wang M, Wang Y, Li L, Sun Q, Yang X, Zeng D, Liu Y, Sun Y, Lou Z, Shang L, Yin Z J Med Chem. 2015 Nov 25. PMID:26571192<ref>PMID:26571192</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 5bpe" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Virus protease 3D structures\|Virus protease 3D structures]]		*[[Virus protease 3D structures\|Virus protease 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:02, 7 June 2023

2023-06-07T06:02:43Z

←Older revision		Revision as of 06:02, 7 June 2023
Line 3:		Line 3:
	<StructureSection load='5bpe' size='340' side='right'caption='[[5bpe]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='5bpe' size='340' side='right'caption='[[5bpe]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5bpe]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Ev-71 Ev-71~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BPE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5BPE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5bpe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterovirus_A71 Enterovirus A71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BPE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5BPE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E22:(2~{S})-~{N}-[(1~{R},2~{S})-1-CYANO-1-OXIDANYL-3-[(3~{S})-2-OXIDANYLIDENEPIPERIDIN-3-YL]PROPAN-2-YL]-3-PHENYL-2-[[(~{E})-3-PHENYLPROP-2-ENOYL]AMINO]PROPANAMIDE'>E22</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E22:(2~{S})-~{N}-[(1~{R},2~{S})-1-CYANO-1-OXIDANYL-3-[(3~{S})-2-OXIDANYLIDENEPIPERIDIN-3-YL]PROPAN-2-YL]-3-PHENYL-2-[[(~{E})-3-PHENYLPROP-2-ENOYL]AMINO]PROPANAMIDE'>E22</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5bpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bpe OCA], [~~http~~://pdbe.org/5bpe PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5bpe RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5bpe PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5bpe 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=5bpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bpe OCA], [https://pdbe.org/5bpe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5bpe RCSB], [https://www.ebi.ac.uk/pdbsum/5bpe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5bpe ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0X1KHD2_HE71 A0A0X1KHD2_HE71]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 20:

	==See Also==		==See Also==
-	*[[Virus protease\|Virus protease]]	+	*[[Virus protease 3D structures\|Virus protease 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Ev-71~~]]	+	[[Category: Enterovirus A71]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Luqing, S]]	+	[[Category: Luqing S]]
-	[[Category: Yin, Z]]	+	[[Category: Yin Z]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Protease~~]]	+

OCA at 08:53, 11 March 2020

2020-03-11T08:53:05Z

←Older revision		Revision as of 08:53, 11 March 2020
Line 1:		Line 1:
		+
	==Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor==		==Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor==
-	<StructureSection load='5bpe' size='340' side='right' caption='[[5bpe]], [[Resolution\|resolution]] 2.70Å' scene=''>	+	<StructureSection load='5bpe' size='340' side='right'caption='[[5bpe]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5bpe]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BPE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5BPE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5bpe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Ev-71 Ev-71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BPE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5BPE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E22:(2~{S})-~{N}-[(1~{R},2~{S})-1-CYANO-1-OXIDANYL-3-[(3~{S})-2-OXIDANYLIDENEPIPERIDIN-3-YL]PROPAN-2-YL]-3-PHENYL-2-[[(~{E})-3-PHENYLPROP-2-ENOYL]AMINO]PROPANAMIDE'>E22</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E22:(2~{S})-~{N}-[(1~{R},2~{S})-1-CYANO-1-OXIDANYL-3-[(3~{S})-2-OXIDANYLIDENEPIPERIDIN-3-YL]PROPAN-2-YL]-3-PHENYL-2-[[(~{E})-3-PHENYLPROP-2-ENOYL]AMINO]PROPANAMIDE'>E22</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5bpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bpe OCA], [http://pdbe.org/5bpe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5bpe RCSB], [http://www.ebi.ac.uk/pdbsum/5bpe 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=5bpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bpe OCA], [http://pdbe.org/5bpe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5bpe RCSB], [http://www.ebi.ac.uk/pdbsum/5bpe PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5bpe ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 15:		Line 16:
	</div>		</div>
	<div class="pdbe-citations 5bpe" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5bpe" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Virus protease\|Virus protease]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Ev-71]]
		+	[[Category: Large Structures]]
	[[Category: Luqing, S]]		[[Category: Luqing, S]]
	[[Category: Yin, Z]]		[[Category: Yin, Z]]

OCA at 07:20, 9 December 2015

2015-12-09T07:20:23Z

←Older revision		Revision as of 07:20, 9 December 2015
Line 6:		Line 6:
	<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=5bpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bpe OCA], [http://pdbe.org/5bpe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5bpe RCSB], [http://www.ebi.ac.uk/pdbsum/5bpe 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=5bpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bpe OCA], [http://pdbe.org/5bpe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5bpe RCSB], [http://www.ebi.ac.uk/pdbsum/5bpe PDBsum]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Cyanohydrin derivatives as enterovirus 71 (EV71) 3C protease (3Cpro) inhibitors have been synthesized and assayed for their biochemical and antiviral activities. Compared with the reported inhibitors, cyanohydrins (1S,2S,2'S,5S)-16 and (1R,2S,2'S,5S)-16 exhibited significantly improved activity and attractive selectivity profiles against other proteases, which were a result of the specific interactions between the cyanohydrin moiety and the catalytic site of 3Cpro. Cyanohydrin as an anchoring group with high selectivity and excellent inhibitory activity represents a useful choice for cysteine protease inhibitors.
		+
		+	Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease.,Zhai Y, Zhao X, Cui Z, Wang M, Wang Y, Li L, Sun Q, Yang X, Zeng D, Liu Y, Sun Y, Lou Z, Shang L, Yin Z J Med Chem. 2015 Nov 25. PMID:26571192<ref>PMID:26571192</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5bpe" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 04:43, 1 December 2015

2015-12-01T04:43:41Z

←Older revision		Revision as of 04:43, 1 December 2015
Line 1:		Line 1:
-	'''~~Unreleased structure~~'''	+	==Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor==
-		+	<StructureSection load='5bpe' size='340' side='right' caption='[[5bpe]], [[Resolution\|resolution]] 2.70Å' scene=''>
-	~~The entry~~ 5bpe is ~~ON HOLD until Paper Publication~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5bpe]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BPE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5BPE FirstGlance]. <br>
-	~~Authors~~: ~~Luqing~~, S., ~~Yin~~, Z.	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E22:(2~{S})-~{N}-[(1~{R},2~{S})-1-CYANO-1-OXIDANYL-3-[(3~{S})-2-OXIDANYLIDENEPIPERIDIN-3-YL]PROPAN-2-YL]-3-PHENYL-2-[[(~{E})-3-PHENYLPROP-2-ENOYL]AMINO]PROPANAMIDE'>E22</scene></td></tr>
-		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5bpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bpe OCA], [http://pdbe.org/5bpe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5bpe RCSB], [http://www.ebi.ac.uk/pdbsum/5bpe PDBsum]</span></td></tr>
-	~~Description~~: ~~Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor~~	+	</table>
-	[~~[Category~~: ~~Unreleased Structures]~~]	+	__TOC__
		+	</StructureSection>
	[[Category: Luqing, S]]		[[Category: Luqing, S]]
	[[Category: Yin, Z]]		[[Category: Yin, Z]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Protease]]

OCA at 13:45, 17 June 2015

2015-06-17T13:45:40Z

←Older revision		Revision as of 13:45, 17 June 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5bpe is ON HOLD	+	The entry 5bpe is ON HOLD until Paper Publication

	Authors: Luqing, S., Yin, Z.		Authors: Luqing, S., Yin, Z.

OCA at 12:51, 10 June 2015

2015-06-10T12:51:03Z

←Older revision		Revision as of 12:51, 10 June 2015
Line 3:		Line 3:
	The entry 5bpe is ON HOLD		The entry 5bpe is ON HOLD

-	Authors: ~~Shang~~, ~~L.Q~~., Yin, Z.	+	Authors: Luqing, S., Yin, Z.

	Description: Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor		Description: Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: ~~Shang~~, ~~L.Q~~]]	+	[[Category: Luqing, S]]
	[[Category: Yin, Z]]		[[Category: Yin, Z]]

OCA: Protected "5bpe" [edit=sysop:move=sysop]

2015-06-03T11:45:48Z

Protected "5bpe" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:45, 3 June 2015

OCA: New page: '''Unreleased structure''' The entry 5bpe is ON HOLD Authors: Shang, L.Q., Yin, Z. Description: Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor [[Categ...

2015-06-03T11:45:47Z

New page: '''Unreleased structure''' The entry 5bpe is ON HOLD Authors: Shang, L.Q., Yin, Z. Description: Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor [[Categ...

New page

'''Unreleased structure'''

The entry 5bpe is ON HOLD

Authors: Shang, L.Q., Yin, Z.

Description: Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
[[Category: Unreleased Structures]]
[[Category: Shang, L.Q]]
[[Category: Yin, Z]]