OCA at 12:59, 1 February 2024

2024-02-01T12:59:21Z

←Older revision		Revision as of 12:59, 1 February 2024
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	==Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13==		==Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13==
-	<StructureSection load='7p0i' size='340' side='right'caption='[[7p0i]]' scene=''>	+	<StructureSection load='7p0i' size='340' side='right'caption='[[7p0i]], [[Resolution\|resolution]] 2.30Å' 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=7P0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7P0I FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7p0i]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7P0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7P0I 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=7p0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7p0i OCA], [https://pdbe.org/7p0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7p0i RCSB], [https://www.ebi.ac.uk/pdbsum/7p0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7p0i 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]] 2.3Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7IU:(1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione'>7IU</scene>, <scene name='pdbligand=GLC:ALPHA-D-GLUCOSE'>GLC</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=PRD_900001:alpha-maltose'>PRD_900001</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=7p0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7p0i OCA], [https://pdbe.org/7p0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7p0i RCSB], [https://www.ebi.ac.uk/pdbsum/7p0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7p0i ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/MALE_ECOLI MALE_ECOLI] Involved in the high-affinity maltose membrane transport system MalEFGK. Initial receptor for the active transport of and chemotaxis toward maltooligosaccharides.[https://www.uniprot.org/uniprot/RAMP1_HUMAN RAMP1_HUMAN] Transports the calcitonin gene-related peptide type 1 receptor (CALCRL) to the plasma membrane. Acts as a receptor for calcitonin-gene-related peptide (CGRP) together with CALCRL.<ref>PMID:9620797</ref> [https://www.uniprot.org/uniprot/CALRL_HUMAN CALRL_HUMAN] Receptor for calcitonin-gene-related peptide (CGRP) together with RAMP1 and receptor for adrenomedullin together with RAMP3 (By similarity). Receptor for adrenomedullin together with RAMP2. The activity of this receptor is mediated by G proteins which activate adenylyl cyclase.<ref>PMID:22102369</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A series of macrocyclic calcitonin gene-related peptide (CGRP) receptor antagonists identified using structure-based design principles, exemplified by HTL0028016 (1) and HTL0028125 (2), is described. Structural characterization by X-ray crystallography of the interaction of two of the macrocycle antagonists with the CGRP receptor ectodomain is described, along with structure-activity relationships associated with point changes to the macrocyclic antagonists. The identification of non-peptidic/natural product-derived, macrocyclic ligands for a G protein coupled receptor (GPCR) is noteworthy.
		+
		+	Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.,Cansfield AD, Ator MA, Banerjee J, Bestwick M, Bortolato A, Brown GA, Brown J, Butkovic K, Cansfield JE, Christopher JA, Congreve M, Cseke G, Deflorian F, Dugan B, Hunjadi MP, Hutinec A, Inturi TK, Landek G, Mason J, O'Brien A, Ott GR, Rupcic R, Saxty G, Southall SM, Zadravec R, Watson SP ACS Chem Neurosci. 2022 Mar 16;13(6):751-765. doi: 10.1021/acschemneuro.1c00696. , Epub 2022 Mar 4. PMID:35245037<ref>PMID:35245037</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7p0i" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Escherichia coli K-12]]
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Southall SM]]		[[Category: Southall SM]]

OCA at 05:10, 15 June 2022

2022-06-15T05:10:11Z

←Older revision		Revision as of 05:10, 15 June 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7p0i ~~is ON HOLD until Paper Publication~~	+	==Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13==
-		+	<StructureSection load='7p0i' size='340' side='right'caption='[[7p0i]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7P0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7P0I 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=7p0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7p0i OCA], [https://pdbe.org/7p0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7p0i RCSB], [https://www.ebi.ac.uk/pdbsum/7p0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7p0i ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Southall SM]]

OCA at 05:08, 25 August 2021

2021-08-25T05:08:16Z

←Older revision		Revision as of 05:08, 25 August 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7p0i is ON HOLD	+	The entry 7p0i is ON HOLD until Paper Publication

	Authors:		Authors:

OCA at 04:58, 18 August 2021

2021-08-18T04:58:24Z

←Older revision		Revision as of 04:58, 18 August 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7p0i is ON HOLD ~~until sometime in the future~~	+	The entry 7p0i is ON HOLD

	Authors:		Authors:

OCA at 08:50, 14 July 2021

2021-07-14T08:50:00Z

←Older revision		Revision as of 08:50, 14 July 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7p0i is ON HOLD	+	The entry 7p0i is ON HOLD until sometime in the future

	Authors:		Authors:

OCA: Protected "7p0i" [edit=sysop:move=sysop]

2021-07-07T08:54:20Z

Protected "7p0i" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:54, 7 July 2021

OCA: New page: '''Unreleased structure''' The entry 7p0i is ON HOLD Authors: Description: Category: Unreleased Structures

2021-07-07T08:54:19Z

New page: '''Unreleased structure''' The entry 7p0i is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7p0i is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]