4a5s - Revision history

OCA at 07:46, 18 August 2022

OCA — Thu, 18 Aug 2022 07:46:55 GMT

←Older revision		Revision as of 07:46, 18 August 2022
Line 3:		Line 3:
	<StructureSection load='4a5s' size='340' side='right'caption='[[4a5s]], [[Resolution\|resolution]] 1.62Å' scene=''>		<StructureSection load='4a5s' size='340' side='right'caption='[[4a5s]], [[Resolution\|resolution]] 1.62Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4a5s]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4A5S FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4a5s]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4A5S FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"~~><scene name~~=~~'pdbligand=MAN:ALPHA-D-MANNOSE'~~>~~MAN</scene>,~~ <scene name='pdbligand=N7F:6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE'>N7F</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=N7F:6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE'>N7F</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1w1i\|1w1i]], [[1rwq\|1rwq]], [[1tk3\|1tk3]], [[2bgr\|2bgr]], [[1n1m\|1n1m]], [[2g5t\|2g5t]], [[1nu6\|1nu6]], [[1pfq\|1pfq]], [[1tkr\|1tkr]], [[2g5p\|2g5p]], [[1x70\|1x70]], [[1wcy\|1wcy]], [[1r9m\|1r9m]], [[1nu8\|1nu8]], [[1j2e\|1j2e]], [[2jid\|2jid]], [[1u8e\|1u8e]], [[2g63\|2g63]], [[2bub\|2bub]], [[2ajl\|2ajl]], [[2bgn\|2bgn]], [[1r9n\|1r9n]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1w1i\|1w1i]], [[1rwq\|1rwq]], [[1tk3\|1tk3]], [[2bgr\|2bgr]], [[1n1m\|1n1m]], [[2g5t\|2g5t]], [[1nu6\|1nu6]], [[1pfq\|1pfq]], [[1tkr\|1tkr]], [[2g5p\|2g5p]], [[1x70\|1x70]], [[1wcy\|1wcy]], [[1r9m\|1r9m]], [[1nu8\|1nu8]], [[1j2e\|1j2e]], [[2jid\|2jid]], [[1u8e\|1u8e]], [[2g63\|2g63]], [[2bub\|2bub]], [[2ajl\|2ajl]], [[2bgn\|2bgn]], [[1r9n\|1r9n]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4a5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a5s OCA], [~~http~~://pdbe.org/4a5s PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4a5s RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4a5s PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4a5s 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=4a5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a5s OCA], [https://pdbe.org/4a5s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4a5s RCSB], [https://www.ebi.ac.uk/pdbsum/4a5s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4a5s ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/DPP4_HUMAN DPP4_HUMAN]] Cell surface glycoprotein receptor involved in the costimulatory signal essential for T-cell receptor (TCR)-mediated T-cell activation. Acts as a positive regulator of T-cell coactivation, by binding at least ADA, CAV1, IGF2R, and PTPRC. Its binding to CAV1 and CARD11 induces T-cell proliferation and NF-kappa-B activation in a T-cell receptor/CD3-dependent manner. Its interaction with ADA also regulates lymphocyte-epithelial cell adhesion. In association with FAP is involved in the pericellular proteolysis of the extracellular matrix (ECM), the migration and invasion of endothelial cells into the ECM. May be involved in the promotion of lymphatic endothelial cells adhesion, migration and tube formation. When overexpressed, enhanced cell proliferation, a process inhibited by GPC3. Acts also as a serine exopeptidase with a dipeptidyl peptidase activity that regulates various physiological processes by cleaving peptides in the circulation, including many chemokines, mitogenic growth factors, neuropeptides and peptide hormones. Removes N-terminal dipeptides sequentially from polypeptides having unsubstituted N-termini provided that the penultimate residue is proline.<ref>PMID:10951221</ref> <ref>PMID:17549790</ref> <ref>PMID:10570924</ref> <ref>PMID:10900005</ref> <ref>PMID:11772392</ref> <ref>PMID:14691230</ref> <ref>PMID:16651416</ref> <ref>PMID:17287217</ref> <ref>PMID:18708048</ref>	+	[[https://www.uniprot.org/uniprot/DPP4_HUMAN DPP4_HUMAN]] Cell surface glycoprotein receptor involved in the costimulatory signal essential for T-cell receptor (TCR)-mediated T-cell activation. Acts as a positive regulator of T-cell coactivation, by binding at least ADA, CAV1, IGF2R, and PTPRC. Its binding to CAV1 and CARD11 induces T-cell proliferation and NF-kappa-B activation in a T-cell receptor/CD3-dependent manner. Its interaction with ADA also regulates lymphocyte-epithelial cell adhesion. In association with FAP is involved in the pericellular proteolysis of the extracellular matrix (ECM), the migration and invasion of endothelial cells into the ECM. May be involved in the promotion of lymphatic endothelial cells adhesion, migration and tube formation. When overexpressed, enhanced cell proliferation, a process inhibited by GPC3. Acts also as a serine exopeptidase with a dipeptidyl peptidase activity that regulates various physiological processes by cleaving peptides in the circulation, including many chemokines, mitogenic growth factors, neuropeptides and peptide hormones. Removes N-terminal dipeptides sequentially from polypeptides having unsubstituted N-termini provided that the penultimate residue is proline.<ref>PMID:10951221</ref> <ref>PMID:17549790</ref> <ref>PMID:10570924</ref> <ref>PMID:10900005</ref> <ref>PMID:11772392</ref> <ref>PMID:14691230</ref> <ref>PMID:16651416</ref> <ref>PMID:17287217</ref> <ref>PMID:18708048</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 22:

	==See Also==		==See Also==
-	*[[Dipeptidyl peptidase\|Dipeptidyl peptidase]]	+	*[[Dipeptidyl peptidase 3D structures\|Dipeptidyl peptidase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 29:		Line 29:
	[[Category: Dipeptidyl-peptidase IV]]		[[Category: Dipeptidyl-peptidase IV]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Baeschlin, D K]]		[[Category: Baeschlin, D K]]
	[[Category: Clark, D E]]		[[Category: Clark, D E]]

OCA at 09:09, 6 March 2019

OCA — Wed, 06 Mar 2019 09:09:49 GMT

←Older revision		Revision as of 09:09, 6 March 2019
Line 1:		Line 1:

	==CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR==		==CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR==
-	<StructureSection load='4a5s' size='340' side='right' caption='[[4a5s]], [[Resolution\|resolution]] 1.62Å' scene=''>	+	<StructureSection load='4a5s' size='340' side='right'caption='[[4a5s]], [[Resolution\|resolution]] 1.62Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4a5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4A5S FirstGlance]. <br>		<table><tr><td colspan='2'>[[4a5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4A5S FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=N7F:6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE'>N7F</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4~~</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN~~</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=N7F:6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE'>N7F</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1w1i\|1w1i]], [[1rwq\|1rwq]], [[1tk3\|1tk3]], [[2bgr\|2bgr]], [[1n1m\|1n1m]], [[2g5t\|2g5t]], [[1nu6\|1nu6]], [[1pfq\|1pfq]], [[1tkr\|1tkr]], [[2g5p\|2g5p]], [[1x70\|1x70]], [[1wcy\|1wcy]], [[1r9m\|1r9m]], [[1nu8\|1nu8]], [[1j2e\|1j2e]], [[2jid\|2jid]], [[1u8e\|1u8e]], [[2g63\|2g63]], [[2bub\|2bub]], [[2ajl\|2ajl]], [[2bgn\|2bgn]], [[1r9n\|1r9n]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1w1i\|1w1i]], [[1rwq\|1rwq]], [[1tk3\|1tk3]], [[2bgr\|2bgr]], [[1n1m\|1n1m]], [[2g5t\|2g5t]], [[1nu6\|1nu6]], [[1pfq\|1pfq]], [[1tkr\|1tkr]], [[2g5p\|2g5p]], [[1x70\|1x70]], [[1wcy\|1wcy]], [[1r9m\|1r9m]], [[1nu8\|1nu8]], [[1j2e\|1j2e]], [[2jid\|2jid]], [[1u8e\|1u8e]], [[2g63\|2g63]], [[2bub\|2bub]], [[2ajl\|2ajl]], [[2bgn\|2bgn]], [[1r9n\|1r9n]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span></td></tr>
Line 43:		Line 43:
	[[Category: Krintel, S L]]		[[Category: Krintel, S L]]
	[[Category: Kroemer, M]]		[[Category: Kroemer, M]]
-	[[Category: ~~Mackenzie~~, R E]]	+	[[Category: MacKenzie, R E]]
	[[Category: Maniara, W]]		[[Category: Maniara, W]]
	[[Category: Namoto, K]]		[[Category: Namoto, K]]

OCA at 15:00, 4 August 2016

OCA — Thu, 04 Aug 2016 15:00:50 GMT

←Older revision		Revision as of 15:00, 4 August 2016
Line 1:		Line 1:
		+
	==CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR==		==CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR==
	<StructureSection load='4a5s' size='340' side='right' caption='[[4a5s]], [[Resolution\|resolution]] 1.62Å' scene=''>		<StructureSection load='4a5s' size='340' side='right' caption='[[4a5s]], [[Resolution\|resolution]] 1.62Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4a5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4A5S FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4a5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4A5S FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=N7F:6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE'>N7F</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=N7F:6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE'>N7F</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1w1i\|1w1i]], [[1rwq\|1rwq]], [[1tk3\|1tk3]], [[2bgr\|2bgr]], [[1n1m\|1n1m]], [[2g5t\|2g5t]], [[1nu6\|1nu6]], [[1pfq\|1pfq]], [[1tkr\|1tkr]], [[2g5p\|2g5p]], [[1x70\|1x70]], [[1wcy\|1wcy]], [[1r9m\|1r9m]], [[1nu8\|1nu8]], [[1j2e\|1j2e]], [[2jid\|2jid]], [[1u8e\|1u8e]], [[2g63\|2g63]], [[2bub\|2bub]], [[2ajl\|2ajl]], [[2bgn\|2bgn]], [[1r9n\|1r9n]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1w1i\|1w1i]], [[1rwq\|1rwq]], [[1tk3\|1tk3]], [[2bgr\|2bgr]], [[1n1m\|1n1m]], [[2g5t\|2g5t]], [[1nu6\|1nu6]], [[1pfq\|1pfq]], [[1tkr\|1tkr]], [[2g5p\|2g5p]], [[1x70\|1x70]], [[1wcy\|1wcy]], [[1r9m\|1r9m]], [[1nu8\|1nu8]], [[1j2e\|1j2e]], [[2jid\|2jid]], [[1u8e\|1u8e]], [[2g63\|2g63]], [[2bub\|2bub]], [[2ajl\|2ajl]], [[2bgn\|2bgn]], [[1r9n\|1r9n]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4a5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a5s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4a5s RCSB], [http://www.ebi.ac.uk/pdbsum/4a5s PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4a5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a5s OCA], [http://pdbe.org/4a5s PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4a5s RCSB], [http://www.ebi.ac.uk/pdbsum/4a5s PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4a5s ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4a5s" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Dipeptidyl-peptidase IV]]		[[Category: Dipeptidyl-peptidase IV]]
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Baeschlin, D K]]		[[Category: Baeschlin, D K]]
	[[Category: Clark, D E]]		[[Category: Clark, D E]]

OCA at 10:20, 25 December 2014

OCA — Thu, 25 Dec 2014 10:20:48 GMT

←Older revision		Revision as of 10:20, 25 December 2014
Line 1:		Line 1:
-	[[~~Image:~~4a5s.~~png~~\|~~left~~\|~~200px~~]]	+	==CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR==
		+	<StructureSection load='4a5s' size='340' side='right' caption='[[4a5s]], [[Resolution\|resolution]] 1.62Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4a5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4A5S FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=N7F:6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE'>N7F</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1w1i\|1w1i]], [[1rwq\|1rwq]], [[1tk3\|1tk3]], [[2bgr\|2bgr]], [[1n1m\|1n1m]], [[2g5t\|2g5t]], [[1nu6\|1nu6]], [[1pfq\|1pfq]], [[1tkr\|1tkr]], [[2g5p\|2g5p]], [[1x70\|1x70]], [[1wcy\|1wcy]], [[1r9m\|1r9m]], [[1nu8\|1nu8]], [[1j2e\|1j2e]], [[2jid\|2jid]], [[1u8e\|1u8e]], [[2g63\|2g63]], [[2bub\|2bub]], [[2ajl\|2ajl]], [[2bgn\|2bgn]], [[1r9n\|1r9n]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4a5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a5s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4a5s RCSB], [http://www.ebi.ac.uk/pdbsum/4a5s PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/DPP4_HUMAN DPP4_HUMAN]] Cell surface glycoprotein receptor involved in the costimulatory signal essential for T-cell receptor (TCR)-mediated T-cell activation. Acts as a positive regulator of T-cell coactivation, by binding at least ADA, CAV1, IGF2R, and PTPRC. Its binding to CAV1 and CARD11 induces T-cell proliferation and NF-kappa-B activation in a T-cell receptor/CD3-dependent manner. Its interaction with ADA also regulates lymphocyte-epithelial cell adhesion. In association with FAP is involved in the pericellular proteolysis of the extracellular matrix (ECM), the migration and invasion of endothelial cells into the ECM. May be involved in the promotion of lymphatic endothelial cells adhesion, migration and tube formation. When overexpressed, enhanced cell proliferation, a process inhibited by GPC3. Acts also as a serine exopeptidase with a dipeptidyl peptidase activity that regulates various physiological processes by cleaving peptides in the circulation, including many chemokines, mitogenic growth factors, neuropeptides and peptide hormones. Removes N-terminal dipeptides sequentially from polypeptides having unsubstituted N-termini provided that the penultimate residue is proline.<ref>PMID:10951221</ref> <ref>PMID:17549790</ref> <ref>PMID:10570924</ref> <ref>PMID:10900005</ref> <ref>PMID:11772392</ref> <ref>PMID:14691230</ref> <ref>PMID:16651416</ref> <ref>PMID:17287217</ref> <ref>PMID:18708048</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Novel deazaxanthine-based DPP-4 inhibitors have been identified that are potent (IC(50) <10nM) and highly selective versus other dipeptidyl peptidases. Their synthesis and SAR are reported, along with initial efforts to improve the PK profile through decoration of the deazaxanthine core. Optimisation of compound 3a resulted in the identification of compound (S)-4i, which displayed an improved in vitro and ADME profile. Further enhancements to the PK profile were possible by changing from the deazahypoxanthine to the deazaxanthine template, culminating in compound 12g, which displayed good ex vivo DPP-4 inhibition and a superior PK profile in rat, suggestive of once daily dosing in man.

-	~~{{STRUCTURE_4a5s\| PDB=4a5s \| SCENE= }}~~	+	Novel heterocyclic DPP-4 inhibitors for the treatment of type 2 diabetes.,Sutton JM, Clark DE, Dunsdon SJ, Fenton G, Fillmore A, Harris NV, Higgs C, Hurley CA, Krintel SL, Mackenzie RE, Duttaroy A, Gangl E, Maniara W, Sedrani R, Namoto K, Ostermann N, Gerhartz B, Sirockin F, Trappe J, Hassiepen U, Baeschlin DK Bioorg Med Chem Lett. 2012 Feb 1;22(3):1464-8. Epub 2011 Nov 20. PMID:22177783<ref>PMID:22177783</ref>

-	~~===CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_22177783}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[4a5s]] is~~ a ~~2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA].~~	+

	==See Also==		==See Also==
	*[[Dipeptidyl peptidase\|Dipeptidyl peptidase]]		*[[Dipeptidyl peptidase\|Dipeptidyl peptidase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:022177783<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Dipeptidyl-peptidase IV]]		[[Category: Dipeptidyl-peptidase IV]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Baeschlin, D K.]]	+	[[Category: Baeschlin, D K]]
-	[[Category: Clark, D E.]]	+	[[Category: Clark, D E]]
-	[[Category: Dunsdon, S J.]]	+	[[Category: Dunsdon, S J]]
-	[[Category: Duttaroy, A.]]	+	[[Category: Duttaroy, A]]
-	[[Category: Fenton, G.]]	+	[[Category: Fenton, G]]
-	[[Category: Fillmore, A.]]	+	[[Category: Fillmore, A]]
-	[[Category: Gangl, E.]]	+	[[Category: Gangl, E]]
-	[[Category: Gerhartz, B.]]	+	[[Category: Gerhartz, B]]
-	[[Category: Harris, N V.]]	+	[[Category: Harris, N V]]
-	[[Category: Hassiepen, U.]]	+	[[Category: Hassiepen, U]]
-	[[Category: Higgs, C.]]	+	[[Category: Higgs, C]]
-	[[Category: Hurley, C A.]]	+	[[Category: Hurley, C A]]
-	[[Category: Krintel, S L.]]	+	[[Category: Krintel, S L]]
-	[[Category: Kroemer, M.]]	+	[[Category: Kroemer, M]]
-	[[Category: Mackenzie, R E.]]	+	[[Category: Mackenzie, R E]]
-	[[Category: Maniara, W.]]	+	[[Category: Maniara, W]]
-	[[Category: Namoto, K.]]	+	[[Category: Namoto, K]]
-	[[Category: Ostermann, N.]]	+	[[Category: Ostermann, N]]
-	[[Category: Sedrani, R.]]	+	[[Category: Sedrani, R]]
-	[[Category: Sirockin, F.]]	+	[[Category: Sirockin, F]]
-	[[Category: Sutton, J M.]]	+	[[Category: Sutton, J M]]
-	[[Category: Trappe, J.]]	+	[[Category: Trappe, J]]
-	[[Category: Zink, F.]]	+	[[Category: Zink, F]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Novartis compound nvp-biv988]]		[[Category: Novartis compound nvp-biv988]]
	[[Category: Type 2 diabetes]]		[[Category: Type 2 diabetes]]

OCA at 15:33, 20 October 2012

OCA — Sat, 20 Oct 2012 15:33:41 GMT

←Older revision		Revision as of 15:33, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[4a5s]] is a 2 chain structure ~~of [[Dipeptidyl peptidase]]~~ with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA].	+	[[4a5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA].

	==See Also==		==See Also==

OCA at 18:45, 26 July 2012

OCA — Thu, 26 Jul 2012 18:45:56 GMT

←Older revision		Revision as of 18:45, 26 July 2012
Line 1:		Line 1:
-	[[Image:4a5s.~~jpg~~\|left\|200px]]	+	[[Image:4a5s.png\|left\|200px]]

-	<!--
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-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_4a5s\| PDB=4a5s \| SCENE= }}		{{STRUCTURE_4a5s\| PDB=4a5s \| SCENE= }}

	===CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR===		===CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_22177783}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 22177783 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_22177783}}		{{ABSTRACT_PUBMED_22177783}}

	==About this Structure==		==About this Structure==
-	[[4a5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA].	+	[[4a5s]] is a 2 chain structure of [[Dipeptidyl peptidase]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA].
		+
		+	==See Also==
		+	*[[Dipeptidyl peptidase\|Dipeptidyl peptidase]]

	==Reference==		==Reference==

OCA at 06:32, 8 February 2012

OCA — Wed, 08 Feb 2012 06:32:20 GMT

←Older revision		Revision as of 06:32, 8 February 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:4a5s.jpg\|left\|200px]]

-	The ~~entry 4a5s~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_4a5s", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_4a5s\| PDB=4a5s \| SCENE= }}

-	~~Authors: Ostermann, N., Kroemer, M., Zink, F., Gerhartz, B., Sutton, J.M., Clark, S.E., Dunsdon, S.J., Fenton, G., Fillmore,~~ A~~., Harris, N.V., Higgs, C., Hurley, C.A., Krintel, S.L., MacKenzie, R.E., Duttaroy, A., Gangl, E., Maniara, W., Sedrani, R., Namoto, K., Sirockin, F., Trappe, J., Hassiepen, U., Baeschlin, D.K.~~	+	===CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR===

-	~~Description~~: ~~CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH~~ A ~~NOVAL HETEROCYCLIC DPP4 INHIBITOR~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_22177783}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 22177783 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_22177783}}
		+
		+	==About this Structure==
		+	[[4a5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A5S OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022177783</ref><references group="xtra"/>
		+	[[Category: Dipeptidyl-peptidase IV]]
		+	[[Category: Homo sapiens]]
		+	[[Category: Baeschlin, D K.]]
		+	[[Category: Clark, D E.]]
		+	[[Category: Dunsdon, S J.]]
		+	[[Category: Duttaroy, A.]]
		+	[[Category: Fenton, G.]]
		+	[[Category: Fillmore, A.]]
		+	[[Category: Gangl, E.]]
		+	[[Category: Gerhartz, B.]]
		+	[[Category: Harris, N V.]]
		+	[[Category: Hassiepen, U.]]
		+	[[Category: Higgs, C.]]
		+	[[Category: Hurley, C A.]]
		+	[[Category: Krintel, S L.]]
		+	[[Category: Kroemer, M.]]
		+	[[Category: Mackenzie, R E.]]
		+	[[Category: Maniara, W.]]
		+	[[Category: Namoto, K.]]
		+	[[Category: Ostermann, N.]]
		+	[[Category: Sedrani, R.]]
		+	[[Category: Sirockin, F.]]
		+	[[Category: Sutton, J M.]]
		+	[[Category: Trappe, J.]]
		+	[[Category: Zink, F.]]
		+	[[Category: Hydrolase]]
		+	[[Category: Novartis compound nvp-biv988]]
		+	[[Category: Type 2 diabetes]]

OCA: Protected "4a5s" [edit=sysop:move=sysop]

OCA — Wed, 09 Nov 2011 11:23:34 GMT

Protected "4a5s" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:23, 9 November 2011

OCA: New page: '''Unreleased structure''' The entry 4a5s is ON HOLD Authors: Ostermann, N., Kroemer, M., Zink, F., Gerhartz, B., Sutton, J.M., Clark, S.E., Dunsdon, S.J., Fenton, G., Fillmore, A., Har...

OCA — Wed, 09 Nov 2011 11:23:33 GMT

New page: '''Unreleased structure''' The entry 4a5s is ON HOLD Authors: Ostermann, N., Kroemer, M., Zink, F., Gerhartz, B., Sutton, J.M., Clark, S.E., Dunsdon, S.J., Fenton, G., Fillmore, A., Har...

New page

'''Unreleased structure'''

The entry 4a5s is ON HOLD

Authors: Ostermann, N., Kroemer, M., Zink, F., Gerhartz, B., Sutton, J.M., Clark, S.E., Dunsdon, S.J., Fenton, G., Fillmore, A., Harris, N.V., Higgs, C., Hurley, C.A., Krintel, S.L., MacKenzie, R.E., Duttaroy, A., Gangl, E., Maniara, W., Sedrani, R., Namoto, K., Sirockin, F., Trappe, J., Hassiepen, U., Baeschlin, D.K.

Description: CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR