7zxs - Revision history

OCA at 13:35, 1 February 2024

2024-02-01T13:35:31Z

←Older revision		Revision as of 13:35, 1 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7zxs]] is a 4 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=7ZXS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZXS FirstGlance]. <br>		<table><tr><td colspan='2'>[[7zxs]] is a 4 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=7ZXS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZXS FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=KBO:2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide'>KBO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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]] 1.81Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=KBO:2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide'>KBO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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=7zxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zxs OCA], [https://pdbe.org/7zxs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zxs RCSB], [https://www.ebi.ac.uk/pdbsum/7zxs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zxs 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=7zxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zxs OCA], [https://pdbe.org/7zxs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zxs RCSB], [https://www.ebi.ac.uk/pdbsum/7zxs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zxs ProSAT]</span></td></tr>
	</table>		</table>
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	</div>		</div>
	<div class="pdbe-citations 7zxs" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7zxs" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dipeptidyl peptidase 3D structures\|Dipeptidyl peptidase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 20:29, 16 November 2022

2022-11-16T20:29:08Z

←Older revision		Revision as of 20:29, 16 November 2022
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	</table>		</table>
	== Disease ==		== Disease ==
-	[[https://www.uniprot.org/uniprot/DPP9_HUMAN DPP9_HUMAN]] Idiopathic pulmonary fibrosis.	+	[https://www.uniprot.org/uniprot/DPP9_HUMAN DPP9_HUMAN] Idiopathic pulmonary fibrosis.
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/DPP9_HUMAN DPP9_HUMAN]] Dipeptidyl peptidase that cleaves off N-terminal dipeptides from proteins having a Pro or Ala residue at position 2.	+	[https://www.uniprot.org/uniprot/DPP9_HUMAN DPP9_HUMAN] Dipeptidyl peptidase that cleaves off N-terminal dipeptides from proteins having a Pro or Ala residue at position 2.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 06:21, 28 September 2022

2022-09-28T06:21:46Z

←Older revision		Revision as of 06:21, 28 September 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7zxs is ~~ON HOLD until 2024~~-05-22	+	==Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295==
		+	<StructureSection load='7zxs' size='340' side='right'caption='[[7zxs]], [[Resolution\|resolution]] 1.81Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7zxs]] is a 4 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=7ZXS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZXS FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=KBO:2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide'>KBO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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=7zxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zxs OCA], [https://pdbe.org/7zxs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zxs RCSB], [https://www.ebi.ac.uk/pdbsum/7zxs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zxs ProSAT]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[https://www.uniprot.org/uniprot/DPP9_HUMAN DPP9_HUMAN]] Idiopathic pulmonary fibrosis.
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/DPP9_HUMAN DPP9_HUMAN]] Dipeptidyl peptidase that cleaves off N-terminal dipeptides from proteins having a Pro or Ala residue at position 2.
		+	<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.

-	~~Authors: Ross~~, B., Huber, R.	+	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>

-	~~Description: Crystal structure of DPP9 in complex with~~ a 4-~~oxo~~-~~b-lactam based inhibitor, A295~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: ~~Ross, B~~]]	+	<div class="pdbe-citations 7zxs" style="background-color:#fffaf0;"></div>
-	[[Category: Huber, R]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Huber R]]
		+	[[Category: Ross B]]

OCA at 06:17, 29 June 2022

2022-06-29T06:17:24Z

←Older revision		Revision as of 06:17, 29 June 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7zxs is ON HOLD	+	The entry 7zxs is ON HOLD until 2024-05-22

	Authors: Ross, B., Huber, R.		Authors: Ross, B., Huber, R.

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

2022-06-08T04:16:49Z

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

←Older revision

Revision as of 04:16, 8 June 2022

OCA: New page: '''Unreleased structure''' The entry 7zxs is ON HOLD Authors: Ross, B., Huber, R. Description: Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295 [[Catego...

2022-06-08T04:16:48Z

New page: '''Unreleased structure''' The entry 7zxs is ON HOLD Authors: Ross, B., Huber, R. Description: Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295 [[Catego...

New page

'''Unreleased structure'''

The entry 7zxs is ON HOLD

Authors: Ross, B., Huber, R.

Description: Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295
[[Category: Unreleased Structures]]
[[Category: Ross, B]]
[[Category: Huber, R]]