OCA at 13:09, 1 November 2023

OCA — Wed, 01 Nov 2023 13:09:51 GMT

←Older revision		Revision as of 13:09, 1 November 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8jud is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of human MMP-7 in complex with inhibitor==
		+	<StructureSection load='8jud' size='340' side='right'caption='[[8jud]], [[Resolution\|resolution]] 1.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8jud]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8JUD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8JUD 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]] 1.5Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7SF:4-chloranyl-3-(trifluoromethyl)benzenesulfonic+acid'>7SF</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EOE:beta3-proline'>EOE</scene>, <scene name='pdbligand=GGL:GAMMA-L-GLUTAMIC+ACID'>GGL</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=TBG:3-METHYL-L-VALINE'>TBG</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=8jud FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8jud OCA], [https://pdbe.org/8jud PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8jud RCSB], [https://www.ebi.ac.uk/pdbsum/8jud PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8jud ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/MMP7_HUMAN MMP7_HUMAN] Degrades casein, gelatins of types I, III, IV, and V, and fibronectin. Activates procollagenase.<ref>PMID:2550050</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Matrix metalloproteinase-7 (MMP-7) has been shown to play important roles in pathophysiological processes involved in the development/progression of diseases such as cancer and fibrosis. We discovered selective MMP-7 inhibitors composed of arylsulfonamide, carboxylate, and short peptides by a molecular hybridization approach. These compounds interacted with MMP-7 via multiple hydrogen bonds in the cocrystal structures. To obtain compounds for in vivo evaluation, we attempted structural optimization, particularly targeting Tyr167 at the S3 subsite through structure-based drug design, and identified compound 15 as showing improved MMP-7 potency and MMP subtype selectivity. A novel pi-pi stacking interaction with Tyr167 was achieved when 4-pyridylalanine was introduced as the P3 residue. Compound 15 suppressed the progression of kidney fibrosis in a dose-dependent manner in a mouse model of unilateral ureteral obstruction. Thus, we demonstrated, for the first time, that potent and selective MMP-7 inhibitors could prevent the progression of kidney fibrosis.

-	~~Authors: Kamitani, M~~., Abe-Sato, K., ~~Oka~~, Y.	+	Structure-Based Optimization and Biological Evaluation of Potent and Selective MMP-7 Inhibitors for Kidney Fibrosis.,Abe-Sato K, Tabuse H, Kanazawa H, Kamitani M, Endo M, Tokura S, Wakabayashi S, Yahara T, Takeda T, Hitaka K, Gunji E, Kojima N, Oka Y J Med Chem. 2023 Oct 20. doi: 10.1021/acs.jmedchem.3c01166. PMID:37861435<ref>PMID:37861435</ref>

-	~~Description: Crystal structure~~ of ~~human MMP~~-~~7 in complex with inhibitor~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Oka, Y~~]]	+	<div class="pdbe-citations 8jud" style="background-color:#fffaf0;"></div>
-	[[Category: Abe-Sato, K]]	+	== References ==
-	[[Category: Kamitani, M]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Synthetic construct]]
		+	[[Category: Abe-Sato K]]
		+	[[Category: Kamitani M]]
		+	[[Category: Oka Y]]

OCA at 03:57, 12 July 2023

OCA — Wed, 12 Jul 2023 03:57:05 GMT

←Older revision		Revision as of 03:57, 12 July 2023
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8jud is ON HOLD	+	The entry 8jud is ON HOLD until Paper Publication

	Authors: Kamitani, M., Abe-Sato, K., Oka, Y.		Authors: Kamitani, M., Abe-Sato, K., Oka, Y.

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

OCA — Wed, 05 Jul 2023 04:01:08 GMT

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

←Older revision

Revision as of 04:01, 5 July 2023

OCA: New page: '''Unreleased structure''' The entry 8jud is ON HOLD Authors: Kamitani, M., Abe-Sato, K., Oka, Y. Description: Crystal structure of human MMP-7 in complex with inhibitor [[Category: Un...

OCA — Wed, 05 Jul 2023 04:01:07 GMT

New page: '''Unreleased structure''' The entry 8jud is ON HOLD Authors: Kamitani, M., Abe-Sato, K., Oka, Y. Description: Crystal structure of human MMP-7 in complex with inhibitor [[Category: Un...

New page

'''Unreleased structure'''

The entry 8jud is ON HOLD

Authors: Kamitani, M., Abe-Sato, K., Oka, Y.

Description: Crystal structure of human MMP-7 in complex with inhibitor
[[Category: Unreleased Structures]]
[[Category: Oka, Y]]
[[Category: Abe-Sato, K]]
[[Category: Kamitani, M]]

8jud - Revision history

OCA at 13:09, 1 November 2023

OCA at 03:57, 12 July 2023

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

OCA: New page: '''Unreleased structure''' The entry 8jud is ON HOLD Authors: Kamitani, M., Abe-Sato, K., Oka, Y. Description: Crystal structure of human MMP-7 in complex with inhibitor [[Category: Un...