8aop - Revision history

OCA at 08:13, 7 February 2024

2024-02-07T08:13:02Z

← Older revision		Revision as of 08:13, 7 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8aop]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Magnetospirillum_gryphiswaldense_MSR-1 Magnetospirillum gryphiswaldense MSR-1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8AOP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AOP FirstGlance]. <br>		<table><tr><td colspan='2'>[[8aop]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Magnetospirillum_gryphiswaldense_MSR-1 Magnetospirillum gryphiswaldense MSR-1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8AOP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AOP FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MW6:(3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione'>MW6</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.944Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MW6:(3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione'>MW6</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8aop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aop OCA], [https://pdbe.org/8aop PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aop RCSB], [https://www.ebi.ac.uk/pdbsum/8aop PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aop 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=8aop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aop OCA], [https://pdbe.org/8aop PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aop RCSB], [https://www.ebi.ac.uk/pdbsum/8aop PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aop ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/A4TVL0_9PROT A4TVL0_9PROT]		[https://www.uniprot.org/uniprot/A4TVL0_9PROT A4TVL0_9PROT]
	~~<div style="background-color:#fffaf0;">~~
	~~== Publication Abstract from PubMed ==~~
	To expand the chemical toolkit for targeted protein degradation, we report the generation of a new series of non-thalidomide Cereblon (CRBN) ligands. Readily available 2-methylidene glutarimide was converted to a series of 2-((hetero)aryl(methyl))thio glutarimides via the thio-Michael addition reaction. The compounds thus synthesized were evaluated for their affinity to the thalidomide-binding domain of human CRBN and their binding modes studied via X-ray crystallography. This helped identify several promising glutarimide derivatives which bind stronger to CRBN compared to thalidomide and contain a functional group which permits further chemical conjugation. Oxidation of the sulfur atom in a select group of 2-((hetero)aryl(methyl))thio glutarimides produced the respective sulfones which were found to possess a markedly stronger antiproliferative profile against multiple myeloma cell lines and a sophisticated structural binding mode with additional hydrogen bonding interactions. The newly identified Cereblon ligands form the basis for the synthesis of novel PROTAC protein degraders.

	Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines.,Krasavin M, Adamchik M, Bubyrev A, Heim C, Maiwald S, Zhukovsky D, Zhmurov P, Bunev A, Hartmann MD Eur J Med Chem. 2023 Jan 15;246:114990. doi: 10.1016/j.ejmech.2022.114990. Epub , 2022 Dec 1. PMID:36476642<ref>PMID:36476642</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 8aop" style="background-color:#fffaf0;"></div>~~
	~~== References ==~~
	~~<references/>~~
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 07:38, 11 January 2023

2023-01-11T07:38:27Z

@@ Line 1: / Line 1: @@
-The entry 8aop is ON HOLD  until Paper Publication
+==Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 14r==
-Authors:
+Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines.,Krasavin M, Adamchik M, Bubyrev A, Heim C, Maiwald S, Zhukovsky D, Zhmurov P, Bunev A, Hartmann MD Eur J Med Chem. 2023 Jan 15;246:114990. doi: 10.1016/j.ejmech.2022.114990. Epub , 2022 Dec 1. PMID:36476642<ref>PMID:36476642</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>

OCA at 06:27, 21 September 2022

2022-09-21T06:27:15Z

← Older revision		Revision as of 06:27, 21 September 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 8aop is ON HOLD		The entry 8aop is ON HOLD until Paper Publication

	Authors:		Authors:

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

2022-08-18T03:51:45Z

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

← Older revision	Revision as of 03:51, 18 August 2022
(No difference)

OCA: New page: '''Unreleased structure''' The entry 8aop is ON HOLD Authors: Description: Category: Unreleased Structures

2022-08-18T03:51:43Z

New page: '''Unreleased structure''' The entry 8aop is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 8aop is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]