OCA at 17:45, 1 November 2023

OCA — Wed, 01 Nov 2023 17:45:39 GMT

←Older revision		Revision as of 17:45, 1 November 2023
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	</div>		</div>
	<div class="pdbe-citations 8gdm" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 8gdm" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Retinol-binding protein 3D structures\|Retinol-binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:33, 4 October 2023

OCA — Wed, 04 Oct 2023 12:33:27 GMT

←Older revision		Revision as of 12:33, 4 October 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 8gdm is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of human cellular retinol binding protein 1 in complex with {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)[1-(thiophen-2-yl)ethyl]amine==
		+	<StructureSection load='8gdm' size='340' side='right'caption='[[8gdm]], [[Resolution\|resolution]] 1.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8gdm]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8GDM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8GDM FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.8Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ZA6:(1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine'>ZA6</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=8gdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8gdm OCA], [https://pdbe.org/8gdm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8gdm RCSB], [https://www.ebi.ac.uk/pdbsum/8gdm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8gdm ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/RET1_HUMAN RET1_HUMAN] Intracellular transport of retinol.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The dysregulation of retinoid metabolism has been linked to prevalent ocular diseases including age-related macular degeneration and Stargardt disease. Modulating retinoid metabolism through pharmacological approaches holds promise for the treatment of these eye diseases. Cellular retinol-binding protein 1 (CRBP1) is the primary transporter of all-trans-retinol (atROL) in the eye, and its inhibition has recently been shown to protect mouse retinas from light-induced retinal damage. In this report, we employed high-throughput screening to identify new chemical scaffolds for competitive, nonretinoid inhibitors of CRBP1. To understand the mechanisms of interaction between CRBP1 and these inhibitors, we solved high-resolution X-ray crystal structures of the protein in complex with six selected compounds. By combining protein crystallography with hydrogen/deuterium exchange mass spectrometry, we quantified the conformational changes in CRBP1 caused by different inhibitors and correlated their magnitude with apparent binding affinities. Furthermore, using molecular dynamic simulations, we provided evidence for the functional significance of the "closed" conformation of CRBP1 in retaining ligands within the binding pocket. Collectively, our study outlines the molecular foundations for understanding the mechanism of high-affinity interactions between small molecules and CRBPs, offering a framework for the rational design of improved inhibitors for this class of lipid-binding proteins.

-	~~Authors~~:	+	Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.,Plau J, Morgan CE, Fedorov Y, Banerjee S, Adams DJ, Blaner WS, Yu EW, Golczak M ACS Chem Biol. 2023 Sep 15. doi: 10.1021/acschembio.3c00402. PMID:37713257<ref>PMID:37713257</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 8gdm" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Golczak M]]
		+	[[Category: Plau J]]

OCA: Protected "8gdm" [edit=sysop:move=sysop]

OCA — Wed, 15 Mar 2023 07:46:53 GMT

Protected "8gdm" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:46, 15 March 2023

OCA: New page: '''Unreleased structure''' The entry 8gdm is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

OCA — Wed, 15 Mar 2023 07:46:52 GMT

New page: '''Unreleased structure''' The entry 8gdm is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 8gdm is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]

8gdm - Revision history

OCA at 17:45, 1 November 2023

OCA at 12:33, 4 October 2023

OCA: Protected "8gdm" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 8gdm is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures