7a3j - Revision history

OCA at 12:03, 1 February 2024

OCA — Thu, 01 Feb 2024 12:03:09 GMT

←Older revision		Revision as of 12:03, 1 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7a3j]] is a 3 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=7A3J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A3J FirstGlance]. <br>		<table><tr><td colspan='2'>[[7a3j]] is a 3 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=7A3J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A3J FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=QXK:2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide'>QXK</scene>, <scene name='pdbligand=TMO:TRIMETHYLAMINE+OXIDE'>TMO</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]] 3Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=QXK:2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide'>QXK</scene>, <scene name='pdbligand=TMO:TRIMETHYLAMINE+OXIDE'>TMO</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=7a3j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a3j OCA], [https://pdbe.org/7a3j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a3j RCSB], [https://www.ebi.ac.uk/pdbsum/7a3j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a3j 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=7a3j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a3j OCA], [https://pdbe.org/7a3j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a3j RCSB], [https://www.ebi.ac.uk/pdbsum/7a3j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a3j ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/DPP8_HUMAN DPP8_HUMAN]] Dipeptidyl peptidase that cleaves off N-terminal dipeptides from proteins having a Pro or Ala residue at position 2. May play a role in T-cell activation and immune function.<ref>PMID:11012666</ref>	+	[https://www.uniprot.org/uniprot/DPP8_HUMAN DPP8_HUMAN] Dipeptidyl peptidase that cleaves off N-terminal dipeptides from proteins having a Pro or Ala residue at position 2. May play a role in T-cell activation and immune function.<ref>PMID:11012666</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 06:25, 28 September 2022

OCA — Wed, 28 Sep 2022 06:25:00 GMT

←Older revision		Revision as of 06:25, 28 September 2022
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	==Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272==		==Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272==
-	<StructureSection load='7a3j' size='340' side='right'caption='[[7a3j]]' scene=''>	+	<StructureSection load='7a3j' size='340' side='right'caption='[[7a3j]], [[Resolution\|resolution]] 3.00Å' 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=7A3J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A3J FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7a3j]] is a 3 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=7A3J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A3J 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=7a3j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a3j OCA], [https://pdbe.org/7a3j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a3j RCSB], [https://www.ebi.ac.uk/pdbsum/7a3j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a3j 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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=QXK:2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide'>QXK</scene>, <scene name='pdbligand=TMO:TRIMETHYLAMINE+OXIDE'>TMO</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=7a3j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a3j OCA], [https://pdbe.org/7a3j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a3j RCSB], [https://www.ebi.ac.uk/pdbsum/7a3j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a3j ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/DPP8_HUMAN DPP8_HUMAN]] Dipeptidyl peptidase that cleaves off N-terminal dipeptides from proteins having a Pro or Ala residue at position 2. May play a role in T-cell activation and immune function.<ref>PMID:11012666</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Dipeptidyl peptidases 8 and 9 (DPP8/9) have gathered interest as drug targets due to their important roles in biological processes like immunity and tumorigenesis. Elucidation of their distinct individual functions remains an ongoing task and could benefit from the availability of novel, chemically diverse and selective chemical tools. Here, we report the activity-based protein profiling (ABPP)-mediated discovery of 4-oxo-beta-lactams as potent, non-substrate-like nanomolar DPP8/9 inhibitors. X-ray crystallographic structures revealed different ligand binding modes for DPP8 and DPP9, including an unprecedented targeting of an extended S2' (eS2') subsite in DPP8. Biological assays confirmed inhibition at both target and cellular levels. Altogether, our integrated chemical proteomics and structure-guided small molecule design approach led to novel DPP8/9 inhibitors with alternative molecular inhibition mechanisms, delivering the highest selectivity index reported to date.
		+
		+	Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.,Carvalho LAR, Ross B, Fehr L, Bolgi O, Wohrle S, Lum KM, Podlesainski D, Vieira AC, Kiefersauer R, Felix R, Rodrigues T, Lucas SD, Gross O, Geiss-Friedlander R, Cravatt BF, Huber R, Kaiser M, Moreira R Angew Chem Int Ed Engl. 2022 Sep 11. doi: 10.1002/anie.202210498. PMID:36089535<ref>PMID:36089535</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7a3j" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Dipeptidyl peptidase 3D structures\|Dipeptidyl peptidase 3D structures]]		*[[Dipeptidyl peptidase 3D structures\|Dipeptidyl peptidase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Huber R]]		[[Category: Huber R]]
	[[Category: Ross BH]]		[[Category: Ross BH]]

OCA at 03:31, 2 July 2021

OCA — Fri, 02 Jul 2021 03:31:47 GMT

←Older revision		Revision as of 03:31, 2 July 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 7a3j is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272==
		+	<StructureSection load='7a3j' size='340' side='right'caption='[[7a3j]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7A3J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A3J 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=7a3j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a3j OCA], [https://pdbe.org/7a3j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a3j RCSB], [https://www.ebi.ac.uk/pdbsum/7a3j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a3j ProSAT]</span></td></tr>
		+	</table>

-	~~Authors:~~	+	==See Also==
-		+	*[[Dipeptidyl peptidase 3D structures\|Dipeptidyl peptidase 3D structures]]
-	~~Description:~~	+	__TOC__
-	[[Category: ~~Unreleased~~ Structures]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Huber R]]
		+	[[Category: Ross BH]]

OCA at 06:38, 16 September 2020

OCA — Wed, 16 Sep 2020 06:38:50 GMT

←Older revision		Revision as of 06:38, 16 September 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7a3j is ON HOLD	+	The entry 7a3j is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7a3j" [edit=sysop:move=sysop]

OCA — Wed, 26 Aug 2020 09:15:56 GMT

Protected "7a3j" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:15, 26 August 2020

OCA: New page: '''Unreleased structure''' The entry 7a3j is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 26 Aug 2020 09:15:55 GMT

New page: '''Unreleased structure''' The entry 7a3j is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7a3j is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]