7myy - Revision history

OCA at 16:21, 18 October 2023

2023-10-18T16:21:50Z

←Older revision		Revision as of 16:21, 18 October 2023
Line 1:		Line 1:

	==Crystal Structure of HIV-1 PRS17 with GRL-142==		==Crystal Structure of HIV-1 PRS17 with GRL-142==
-	<StructureSection load='7myy' size='340' side='right'caption='[[7myy]]' scene=''>	+	<StructureSection load='7myy' size='340' side='right'caption='[[7myy]], [[Resolution\|resolution]] 1.50Å' 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=7MYY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7MYY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7myy]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7MYY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7MYY 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=7myy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7myy OCA], [https://pdbe.org/7myy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7myy RCSB], [https://www.ebi.ac.uk/pdbsum/7myy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7myy ProSAT]</span></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]] 1.5Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7OA:(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl+[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate'>7OA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=7myy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7myy OCA], [https://pdbe.org/7myy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7myy RCSB], [https://www.ebi.ac.uk/pdbsum/7myy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7myy ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/I7BFC3_9HIV1 I7BFC3_9HIV1]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The emergence of multidrug resistant (MDR) HIV strains severely reduces the effectiveness of antiretroviral therapy. Clinical inhibitor darunavir (1) has picomolar binding affinity for HIV-1 protease (PR), however, drug resistant variants like PR(S17) show poor inhibition by 1, despite the presence of only two mutated residues in the inhibitor-binding site. Antiviral inhibitors that target MDR proteases like PR(S17) would be valuable as therapeutic agents. Inhibitors 2 and 3 derived from 1 through substitutions at P1, P2 and P2' positions exhibit 3.4- to 500-fold better inhibition than clinical inhibitors for PR(S17) with the exception of amprenavir. Crystal structures of PR(S17)/2 and PR(S17)/3 reveal how these inhibitors target the two active site mutations of PR(S17). The substituted methoxy P2 group of 2 forms new interactions with G48V mutation, while the modified bis-fluoro-benzyl P1 group of 3 forms a halogen interaction with V82S mutation, contributing to improved inhibition of PR(S17).
		+
		+	Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR(S17).,Agniswamy J, Kneller DW, Ghosh AK, Weber IT Biochem Biophys Res Commun. 2021 Aug 20;566:30-35. doi:, 10.1016/j.bbrc.2021.05.094. Epub 2021 Jun 7. PMID:34111669<ref>PMID:34111669</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7myy" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human immunodeficiency virus 1]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Agniswamy J]]		[[Category: Agniswamy J]]
	[[Category: Weber IT]]		[[Category: Weber IT]]

OCA at 10:35, 28 July 2021

2021-07-28T10:35:20Z

←Older revision		Revision as of 10:35, 28 July 2021
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7myy ~~is ON HOLD until Paper Publication~~	+	==Crystal Structure of HIV-1 PRS17 with GRL-142==
-		+	<StructureSection load='7myy' size='340' side='right'caption='[[7myy]]' scene=''>
-	~~Authors~~: ~~Agniswamy~~, J., ~~Weber~~, I.T.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7MYY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7MYY FirstGlance]. <br>
-	~~Description~~: ~~Crystal Structure of HIV-1 PRS17 with GRL~~-~~142~~	+	</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=7myy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7myy OCA], [https://pdbe.org/7myy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7myy RCSB], [https://www.ebi.ac.uk/pdbsum/7myy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7myy ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Agniswamy, J]]	+	__TOC__
-	[[Category: Weber~~, I.T~~]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Agniswamy J]]
		+	[[Category: Weber IT]]

OCA at 11:06, 9 June 2021

2021-06-09T11:06:21Z

←Older revision		Revision as of 11:06, 9 June 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Agniswamy, J., Weber, I.T.		Authors: Agniswamy, J., Weber, I.T.

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

2021-06-02T13:30:20Z

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

←Older revision

Revision as of 13:30, 2 June 2021

OCA: New page: '''Unreleased structure''' The entry 7myy is ON HOLD Authors: Agniswamy, J., Weber, I.T. Description: Crystal Structure of HIV-1 PRS17 with GRL-142 Category: Unreleased Structures ...

2021-06-02T13:30:19Z

New page: '''Unreleased structure''' The entry 7myy is ON HOLD Authors: Agniswamy, J., Weber, I.T. Description: Crystal Structure of HIV-1 PRS17 with GRL-142 Category: Unreleased Structures ...

New page

'''Unreleased structure'''

The entry 7myy is ON HOLD

Authors: Agniswamy, J., Weber, I.T.

Description: Crystal Structure of HIV-1 PRS17 with GRL-142
[[Category: Unreleased Structures]]
[[Category: Agniswamy, J]]
[[Category: Weber, I.T]]