7tbc - Revision history

OCA at 17:03, 18 October 2023

2023-10-18T17:03:07Z

←Older revision		Revision as of 17:03, 18 October 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7tbc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBC FirstGlance]. <br>		<table><tr><td colspan='2'>[[7tbc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBC 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=I0L:(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide'>I0L</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</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]] 2.76Å</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=I0L:(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide'>I0L</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</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=7tbc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbc OCA], [https://pdbe.org/7tbc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbc RCSB], [https://www.ebi.ac.uk/pdbsum/7tbc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbc 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=7tbc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbc OCA], [https://pdbe.org/7tbc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbc RCSB], [https://www.ebi.ac.uk/pdbsum/7tbc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbc ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/Q2KNW6_PLAFA Q2KNW6_PLAFA]]	+	[https://www.uniprot.org/uniprot/Q2KNW6_PLAFA Q2KNW6_PLAFA]
		+
		+	==See Also==
		+	*[[Plasmepsin\|Plasmepsin]]
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 05:28, 8 September 2022

2022-09-08T05:28:50Z

←Older revision		Revision as of 05:28, 8 September 2022
Line 3:		Line 3:
	<StructureSection load='7tbc' size='340' side='right'caption='[[7tbc]], [[Resolution\|resolution]] 2.76Å' scene=''>		<StructureSection load='7tbc' size='340' side='right'caption='[[7tbc]], [[Resolution\|resolution]] 2.76Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7tbc]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7tbc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBC 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=I0L:(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide'>I0L</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene></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=I0L:(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide'>I0L</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</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=7tbc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbc OCA], [https://pdbe.org/7tbc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbc RCSB], [https://www.ebi.ac.uk/pdbsum/7tbc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbc 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=7tbc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbc OCA], [https://pdbe.org/7tbc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbc RCSB], [https://www.ebi.ac.uk/pdbsum/7tbc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbc ProSAT]</span></td></tr>
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[[https://www.uniprot.org/uniprot/Q2KNW6_PLAFA Q2KNW6_PLAFA]]
-	Plasmepsins IX (PMIX) and X (PMX) are essential aspartyl proteases for Plasmodium spp. egress, invasion, and development. WM4 and WM382 inhibit PMIX and PMX in Plasmodium falciparum and P. vivax. WM4 inhibits PMX, while WM382 is a dual inhibitor of PMIX and PMX. To understand their function, we identified protein substrates. Enzyme kinetic and structural analyses identified interactions responsible for drug specificity. PMIX and PMX have similar substrate specificity; however, there are distinct differences for peptide and protein substrates. Differences in WM4 and WM382 binding for PMIX and PMX map to variations in the S' region and engagement of the active site S3 pocket. Structures of PMX reveal interactions and mechanistic detail of drug binding important for development of clinical candidates against these targets.	+
-		+
-	Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.,Hodder AN, Christensen J, Scally S, Triglia T, Ngo A, Birkinshaw RW, Bailey B, Favuzza P, Dietrich MH, Tham WH, Czabotar PE, Lowes K, Guo Z, Murgolo N, Lera Ruiz M, McCauley JA, Sleebs BE, Olsen D, Cowman AF Structure. 2022 Apr 11. pii: ~~S0969-2126(22)00099-5. doi:, 10.1016~~/~~j.str.2022.03.018. PMID:35460613<ref>PMID:35460613<~~/~~ref>~~	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~	+
-	</~~div>~~	+
-	~~<div class="pdbe-citations 7tbc" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references~~/>	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Christensen, J B~~]]	+	[[Category: Plasmodium falciparum]]
-	[[Category: ~~Cowman, A F~~]]	+	[[Category: Christensen JB]]
-	[[Category: ~~Hodder, A N~~]]	+	[[Category: Cowman AF]]
-	[[Category: ~~Scally, S W~~]]	+	[[Category: Hodder AN]]
-	[[Category: ~~Aspartyl protease]]~~	+	[[Category: Scally SW]]
-	~~[[Category: Hydrolase~~]]	+

OCA at 07:13, 20 July 2022

2022-07-20T07:13:28Z

←Older revision		Revision as of 07:13, 20 July 2022
Line 1:		Line 1:

	==Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382==		==Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382==
-	<StructureSection load='7tbc' size='340' side='right'caption='[[7tbc]]' scene=''>	+	<StructureSection load='7tbc' size='340' side='right'caption='[[7tbc]], [[Resolution\|resolution]] 2.76Å' 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=7TBC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7tbc]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBC 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=7tbc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbc OCA], [https://pdbe.org/7tbc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbc RCSB], [https://www.ebi.ac.uk/pdbsum/7tbc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbc 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=I0L:(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide'>I0L</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</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=7tbc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbc OCA], [https://pdbe.org/7tbc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbc RCSB], [https://www.ebi.ac.uk/pdbsum/7tbc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbc ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Plasmepsins IX (PMIX) and X (PMX) are essential aspartyl proteases for Plasmodium spp. egress, invasion, and development. WM4 and WM382 inhibit PMIX and PMX in Plasmodium falciparum and P. vivax. WM4 inhibits PMX, while WM382 is a dual inhibitor of PMIX and PMX. To understand their function, we identified protein substrates. Enzyme kinetic and structural analyses identified interactions responsible for drug specificity. PMIX and PMX have similar substrate specificity; however, there are distinct differences for peptide and protein substrates. Differences in WM4 and WM382 binding for PMIX and PMX map to variations in the S' region and engagement of the active site S3 pocket. Structures of PMX reveal interactions and mechanistic detail of drug binding important for development of clinical candidates against these targets.
		+
		+	Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.,Hodder AN, Christensen J, Scally S, Triglia T, Ngo A, Birkinshaw RW, Bailey B, Favuzza P, Dietrich MH, Tham WH, Czabotar PE, Lowes K, Guo Z, Murgolo N, Lera Ruiz M, McCauley JA, Sleebs BE, Olsen D, Cowman AF Structure. 2022 Apr 11. pii: S0969-2126(22)00099-5. doi:, 10.1016/j.str.2022.03.018. PMID:35460613<ref>PMID:35460613</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7tbc" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Christensen JB]]	+	[[Category: Christensen, J B]]
-	[[Category: Cowman AF]]	+	[[Category: Cowman, A F]]
-	[[Category: Hodder AN]]	+	[[Category: Hodder, A N]]
-	[[Category: Scally SW]]	+	[[Category: Scally, S W]]
		+	[[Category: Aspartyl protease]]
		+	[[Category: Hydrolase]]

OCA at 12:51, 4 May 2022

2022-05-04T12:51:28Z

←Older revision		Revision as of 12:51, 4 May 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7tbc is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382==
-		+	<StructureSection load='7tbc' size='340' side='right'caption='[[7tbc]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBC 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=7tbc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbc OCA], [https://pdbe.org/7tbc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbc RCSB], [https://www.ebi.ac.uk/pdbsum/7tbc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbc ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Christensen JB]]
		+	[[Category: Cowman AF]]
		+	[[Category: Hodder AN]]
		+	[[Category: Scally SW]]

OCA at 09:28, 30 March 2022

2022-03-30T09:28:40Z

←Older revision		Revision as of 09:28, 30 March 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

OCA at 06:28, 23 February 2022

2022-02-23T06:28:41Z

←Older revision		Revision as of 06:28, 23 February 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7tbc is ON HOLD ~~until Paper Publication~~	+	The entry 7tbc is ON HOLD

	Authors:		Authors:

OCA at 06:16, 9 February 2022

2022-02-09T06:16:04Z

←Older revision		Revision as of 06:16, 9 February 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

2021-12-29T12:09:46Z

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

←Older revision

Revision as of 12:09, 29 December 2021

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

2021-12-29T12:09:45Z

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

New page

'''Unreleased structure'''

The entry 7tbc is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]