6hij - Revision history

OCA at 01:23, 11 April 2020

OCA — Sat, 11 Apr 2020 01:23:05 GMT

←Older revision		Revision as of 01:23, 11 April 2020
Line 3:		Line 3:
	<SX load='6hij' size='340' side='right' viewer='molstar' caption='[[6hij]], [[Resolution\|resolution]] 3.56Å' scene=''>		<SX load='6hij' size='340' side='right' viewer='molstar' caption='[[6hij]], [[Resolution\|resolution]] 3.56Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6hij]] 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=6HIJ OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6HIJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6hij]] 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=6HIJ OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6HIJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BWQ:~{tert}-butyl+3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate'>BWQ</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=PEE:1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE'>PEE</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BWQ:~{tert}-butyl+3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate'>BWQ</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=PEE:1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE'>PEE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ffc\|6ffc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ffc\|6ffc]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ABCG2, ABCP, BCRP, BCRP1, MXR ([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">ABCG2, ABCP, BCRP, BCRP1, MXR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=6hij FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hij OCA], [http://pdbe.org/6hij PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hij RCSB], [http://www.ebi.ac.uk/pdbsum/6hij PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hij ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6hij FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hij OCA], [http://pdbe.org/6hij PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hij RCSB], [http://www.ebi.ac.uk/pdbsum/6hij PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hij ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==

OCA at 21:42, 6 March 2020

OCA — Fri, 06 Mar 2020 21:42:15 GMT

←Older revision		Revision as of 21:42, 6 March 2020
Line 1:		Line 1:

	==Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked==		==Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked==
-	<~~StructureSection~~ load='6hij' size='340' side='right'caption='[[6hij]], [[Resolution\|resolution]] 3.56Å' scene=''>	+	<SX load='6hij' size='340' side='right' viewer='molstar' caption='[[6hij]], [[Resolution\|resolution]] 3.56Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6hij]] 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=6HIJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HIJ FirstGlance]. <br>		<table><tr><td colspan='2'>[[6hij]] 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=6HIJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HIJ FirstGlance]. <br>
Line 23:		Line 23:
	<references/>		<references/>
	__TOC__		__TOC__
-	</~~StructureSection~~>	+	</SX>
	[[Category: Human]]		[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]

OCA at 08:16, 3 April 2019

OCA — Wed, 03 Apr 2019 08:16:17 GMT

←Older revision		Revision as of 08:16, 3 April 2019
Line 1:		Line 1:

	==Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked==		==Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked==
-	<StructureSection load='6hij' size='340' side='right' caption='[[6hij]], [[Resolution\|resolution]] 3.56Å' scene=''>	+	<StructureSection load='6hij' size='340' side='right'caption='[[6hij]], [[Resolution\|resolution]] 3.56Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6hij]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HIJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HIJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6hij]] 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=6HIJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HIJ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BWQ:~{tert}-butyl+3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate'>BWQ</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=PEE:1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE'>PEE</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BWQ:~{tert}-butyl+3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate'>BWQ</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=PEE:1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE'>PEE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ffc\|6ffc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ffc\|6ffc]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ABCG2, ABCP, BCRP, BCRP1, MXR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=6hij FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hij OCA], [http://pdbe.org/6hij PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hij RCSB], [http://www.ebi.ac.uk/pdbsum/6hij PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hij 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=6hij FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hij OCA], [http://pdbe.org/6hij PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hij RCSB], [http://www.ebi.ac.uk/pdbsum/6hij PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hij ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/ABCG2_HUMAN ABCG2_HUMAN]] High-capacity urate exporter functioning in both renal and extrarenal urate excretion. Plays a role in porphyrin homeostasis as it is able to mediates the export of protoporhyrin IX (PPIX) both from mitochondria to cytosol and from cytosol to extracellular space, and cellular export of hemin, and heme. Xenobiotic transporter that may play an important role in the exclusion of xenobiotics from the brain. Appears to play a major role in the multidrug resistance phenotype of several cancer cell lines. Implicated in the efflux of numerous drugs and xenobiotics: mitoxantrone, the photosensitizer pheophorbide, camptothecin, methotrexate, azidothymidine (AZT), and the anthracyclines daunorubicin and doxorubicin.<ref>PMID:12958161</ref> <ref>PMID:20705604</ref> <ref>PMID:22132962</ref> <ref>PMID:23189181</ref>		[[http://www.uniprot.org/uniprot/ABCG2_HUMAN ABCG2_HUMAN]] High-capacity urate exporter functioning in both renal and extrarenal urate excretion. Plays a role in porphyrin homeostasis as it is able to mediates the export of protoporhyrin IX (PPIX) both from mitochondria to cytosol and from cytosol to extracellular space, and cellular export of hemin, and heme. Xenobiotic transporter that may play an important role in the exclusion of xenobiotics from the brain. Appears to play a major role in the multidrug resistance phenotype of several cancer cell lines. Implicated in the efflux of numerous drugs and xenobiotics: mitoxantrone, the photosensitizer pheophorbide, camptothecin, methotrexate, azidothymidine (AZT), and the anthracyclines daunorubicin and doxorubicin.<ref>PMID:12958161</ref> <ref>PMID:20705604</ref> <ref>PMID:22132962</ref> <ref>PMID:23189181</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	ABCG2 is an ATP-binding cassette (ABC) transporter that protects tissues against xenobiotics, affects the pharmacokinetics of drugs and contributes to multidrug resistance. Although many inhibitors and modulators of ABCG2 have been developed, understanding their structure-activity relationship requires high-resolution structural insight. Here, we present cryo-EM structures of human ABCG2 bound to synthetic derivatives of the fumitremorgin C-related inhibitor Ko143 or the multidrug resistance modulator tariquidar. Both compounds are bound to the central, inward-facing cavity of ABCG2, blocking access for substrates and preventing conformational changes required for ATP hydrolysis. The high resolutions allowed for de novo building of the entire transporter and also revealed tightly bound phospholipids and cholesterol interacting with the lipid-exposed surface of the transmembrane domains (TMDs). Extensive chemical modifications of the Ko143 scaffold combined with in vitro functional analyses revealed the details of ABCG2 interactions with this compound family and provide a basis for the design of novel inhibitors and modulators.
		+
		+	Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.,Jackson SM, Manolaridis I, Kowal J, Zechner M, Taylor NMI, Bause M, Bauer S, Bartholomaeus R, Bernhardt G, Koenig B, Buschauer A, Stahlberg H, Altmann KH, Locher KP Nat Struct Mol Biol. 2018 Apr;25(4):333-340. doi: 10.1038/s41594-018-0049-1. Epub, 2018 Apr 2. PMID:29610494<ref>PMID:29610494</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6hij" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Altmann, K H]]		[[Category: Altmann, K H]]
	[[Category: Bartholomaeus, R]]		[[Category: Bartholomaeus, R]]

OCA at 19:58, 19 September 2018

OCA — Wed, 19 Sep 2018 19:58:54 GMT

←Older revision		Revision as of 19:58, 19 September 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6hij ~~is ON HOLD~~	+	==Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked==
-		+	<StructureSection load='6hij' size='340' side='right' caption='[[6hij]], [[Resolution\|resolution]] 3.56Å' scene=''>
-	~~Authors~~: ~~Jackson, S~~.M.~~, Manolaridis, I~~.~~, Kowal, J~~., ~~Zechner~~, M., ~~Taylor~~, N.M.I., ~~Bause, M~~., ~~Bauer~~, S., ~~Bartholomaeus~~, R., ~~Stahlberg~~, H., ~~Bernhardt~~, G., ~~Koenig~~, B., ~~Buschauer, A~~., ~~Altmann~~, K.H., ~~Locher~~, ~~K.P~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6hij]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HIJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HIJ FirstGlance]. <br>
-	~~Description~~: ~~Structure of an inhibitor-bound ABC transporter~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BWQ:~{tert}-butyl+3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate'>BWQ</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=PEE:1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE'>PEE</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ffc\|6ffc]]</td></tr>
-	[[Category: ~~Locher~~, ~~K.P~~]]	+	<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=6hij FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hij OCA], [http://pdbe.org/6hij PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hij RCSB], [http://www.ebi.ac.uk/pdbsum/6hij PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hij ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ABCG2_HUMAN ABCG2_HUMAN]] High-capacity urate exporter functioning in both renal and extrarenal urate excretion. Plays a role in porphyrin homeostasis as it is able to mediates the export of protoporhyrin IX (PPIX) both from mitochondria to cytosol and from cytosol to extracellular space, and cellular export of hemin, and heme. Xenobiotic transporter that may play an important role in the exclusion of xenobiotics from the brain. Appears to play a major role in the multidrug resistance phenotype of several cancer cell lines. Implicated in the efflux of numerous drugs and xenobiotics: mitoxantrone, the photosensitizer pheophorbide, camptothecin, methotrexate, azidothymidine (AZT), and the anthracyclines daunorubicin and doxorubicin.<ref>PMID:12958161</ref> <ref>PMID:20705604</ref> <ref>PMID:22132962</ref> <ref>PMID:23189181</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Altmann, K H]]
		+	[[Category: Bartholomaeus, R]]
		+	[[Category: Bauer, S]]
		+	[[Category: Bause, M]]
	[[Category: Bernhardt, G]]		[[Category: Bernhardt, G]]
-	[[Category: Jackson, S.M]]	+	[[Category: Buschauer, A]]
-	[[Category: ~~Bause~~, M]]	+	[[Category: Jackson, S M]]
		+	[[Category: Koenig, B]]
	[[Category: Kowal, J]]		[[Category: Kowal, J]]
-	[[Category: ~~Altmann~~, K.H]]	+	[[Category: Locher, K P]]
-	[[Category: ~~Bauer~~, S]]	+	[[Category: Manolaridis, I]]
-	[[Category: ~~Koenig~~, B]]	+	[[Category: Stahlberg, H]]
-	[[Category: ~~Bartholomaeus~~, R]]	+	[[Category: Taylor, N M.I]]
	[[Category: Zechner, M]]		[[Category: Zechner, M]]
-	[[Category: ~~Stahlberg, H~~]]	+	[[Category: Abc transporter]]
-	[[Category: ~~Buschauer, A]]~~	+	[[Category: Transport protein]]
-	~~[[Category: Taylor, N.M.I]]~~	+
-	~~[[Category: Manolaridis, I~~]]	+

OCA: Protected "6hij" [edit=sysop:move=sysop]

OCA — Wed, 05 Sep 2018 08:48:46 GMT

Protected "6hij" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:48, 5 September 2018

OCA: New page: '''Unreleased structure''' The entry 6hij is ON HOLD Authors: Jackson, S.M., Manolaridis, I., Kowal, J., Zechner, M., Taylor, N.M.I., Bause, M., Bauer, S., Bartholomaeus, R., Stahlberg,...

OCA — Wed, 05 Sep 2018 08:48:44 GMT

New page: '''Unreleased structure''' The entry 6hij is ON HOLD Authors: Jackson, S.M., Manolaridis, I., Kowal, J., Zechner, M., Taylor, N.M.I., Bause, M., Bauer, S., Bartholomaeus, R., Stahlberg,...

New page

'''Unreleased structure'''

The entry 6hij is ON HOLD

Authors: Jackson, S.M., Manolaridis, I., Kowal, J., Zechner, M., Taylor, N.M.I., Bause, M., Bauer, S., Bartholomaeus, R., Stahlberg, H., Bernhardt, G., Koenig, B., Buschauer, A., Altmann, K.H., Locher, K.P.

Description: Structure of an inhibitor-bound ABC transporter
[[Category: Unreleased Structures]]
[[Category: Locher, K.P]]
[[Category: Bernhardt, G]]
[[Category: Jackson, S.M]]
[[Category: Bause, M]]
[[Category: Kowal, J]]
[[Category: Altmann, K.H]]
[[Category: Bauer, S]]
[[Category: Koenig, B]]
[[Category: Bartholomaeus, R]]
[[Category: Zechner, M]]
[[Category: Stahlberg, H]]
[[Category: Buschauer, A]]
[[Category: Taylor, N.M.I]]
[[Category: Manolaridis, I]]