5lfh - Revision history

OCA at 08:58, 11 October 2023

2023-10-11T08:58:34Z

←Older revision		Revision as of 08:58, 11 October 2023
Line 1:		Line 1:

	==NMR structure of peptide 10 targeting CXCR4==		==NMR structure of peptide 10 targeting CXCR4==
-	<StructureSection load='5lfh' size='340' side='right'caption='[[5lfh~~]], [[NMR_Ensembles_of_Models \| 10 NMR models~~]]' scene=''>	+	<StructureSection load='5lfh' size='340' side='right'caption='[[5lfh]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lfh]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LFH OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5LFH FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lfh]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LFH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LFH FirstGlance]. <br>
-	</td></tr><tr id='~~NonStdRes~~'><td class="sblockLbl"><b>[[~~Non-Standard_Residue~~\|~~NonStd Res~~:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=DCY:D-CYSTEINE'>DCY</scene></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5lfh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lfh OCA], [~~http~~://pdbe.org/5lfh PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5lfh RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5lfh PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5lfh ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=DCY:D-CYSTEINE'>DCY</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=5lfh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lfh OCA], [https://pdbe.org/5lfh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lfh RCSB], [https://www.ebi.ac.uk/pdbsum/5lfh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lfh ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 20:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Alterio, C~~ D]]	+	[[Category: Brancaccio D]]
-	[[Category: ~~Brancaccio, D~~]]	+	[[Category: Carotenuto A]]
-	[[Category: ~~Carotenuto, A~~]]	+	[[Category: D'Alterio C]]
-	[[Category: ~~Ierano, C~~]]	+	[[Category: Di Leva FS]]
-	[[Category: ~~Leva, F S.~~Di]]	+	[[Category: Di Maro S]]
-	[[Category: ~~Marinelli, L~~]]	+	[[Category: Ierano C]]
-	[[Category: ~~Maro, S Di~~]]	+	[[Category: La Pietra V]]
-	[[Category: ~~Napolitano, M~~]]	+	[[Category: Marinelli L]]
-	[[Category: ~~Novellino, E~~]]	+	[[Category: Napolitano M]]
-	[[Category: ~~Pietra, V La~~]]	+	[[Category: Novellino E]]
-	[[Category: Portella, L]]	+	[[Category: Portella L]]
-	[[Category: Scala, S]]	+	[[Category: Scala S]]
-	[[Category: Sementa, D]]	+	[[Category: Sementa D]]
-	[[Category: Siciliano~~, R A~~]]	+	[[Category: Siciliano RA]]
-	[[Category: Tomassi, S]]	+	[[Category: Tomassi S]]
-	[[Category: Trotta~~, A M]]~~	+	[[Category: Trotta AM]]
-	~~[[Category: Cancer]]~~	+
-	~~[[Category: Chemokine]]~~	+
-	~~[[Category: Cxcl12]]~~	+
-	~~[[Category: Cxcr4]]~~	+
-	~~[[Category: Cxcr4 antagonist]]~~	+
-	~~[[Category: Cytokine]]~~	+
-	~~[[Category: Drug design]]~~	+
-	~~[[Category: Molecular invasion~~]]	+

OCA at 07:09, 5 August 2020

2020-08-05T07:09:13Z

←Older revision		Revision as of 07:09, 5 August 2020
Line 1:		Line 1:

	==NMR structure of peptide 10 targeting CXCR4==		==NMR structure of peptide 10 targeting CXCR4==
-	<StructureSection load='5lfh' size='340' side='right' caption='[[5lfh]], [[NMR_Ensembles_of_Models \| 10 NMR models]]' scene=''>	+	<StructureSection load='5lfh' size='340' side='right'caption='[[5lfh]], [[NMR_Ensembles_of_Models \| 10 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lfh]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LFH OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5LFH FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lfh]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LFH OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5LFH FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=DCY:D-CYSTEINE'>DCY</scene></td></tr>		</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=DCY:D-CYSTEINE'>DCY</scene></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=5lfh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lfh OCA], [http://pdbe.org/5lfh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lfh RCSB], [http://www.ebi.ac.uk/pdbsum/5lfh PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lfh ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5lfh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lfh OCA], [http://pdbe.org/5lfh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lfh RCSB], [http://www.ebi.ac.uk/pdbsum/5lfh PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lfh ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 20:		Line 20:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Alterio, C D]]		[[Category: Alterio, C D]]
	[[Category: Brancaccio, D]]		[[Category: Brancaccio, D]]

OCA at 21:15, 10 September 2016

2016-09-10T21:15:38Z

←Older revision		Revision as of 21:15, 10 September 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5lfh is ~~ON HOLD~~	+	==NMR structure of peptide 10 targeting CXCR4==
		+	<StructureSection load='5lfh' size='340' side='right' caption='[[5lfh]], [[NMR_Ensembles_of_Models \| 10 NMR models]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5lfh]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LFH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LFH FirstGlance]. <br>
		+	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=DCY:D-CYSTEINE'>DCY</scene></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=5lfh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lfh OCA], [http://pdbe.org/5lfh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lfh RCSB], [http://www.ebi.ac.uk/pdbsum/5lfh PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lfh ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We previously reported the discovery of a CXCL12-mimetic cyclic peptide (2) as selective CXCR4 antagonist showing promising in vitro and in vivo anticancer activity. However, further development of this peptide was hampered by its degradation in biological fluids as well as by its low micromolar affinity for the receptor. Herein, extensive chemical modifications led to the development of a new analogue (10) with enhanced potency, specificity and plasma stability. A combined approach of Ala-amino acid scan, NMR and molecular modeling unraveled the reasons behind the improved binding properties of 10 vs 2. Biological investigations on leukaemia (CEM) and colon (HT29 and HCT116) cancer cell lines showed that 10 is able to impair CXCL12-mediated cell migration, ERK-phosphorylation and CXCR4 internalization. These outcomes might pave the way for the future preclinical development of 10 in CXCR4 overexpressing leukaemia and colon cancer.

-	~~Authors~~: Di Maro, S., Trotta~~, A.M.~~, Brancaccio, D., Di Leva~~, F.S.~~, La Pietra, V., Ierano, C., Napolitano, M., Portella, L., D'Alterio, C., Siciliano~~, R.A.~~, Sementa, D., Tomassi, S., Carotenuto, A., Novellino, E., Scala, S., Marinelli, L.	+	Exploring the N-terminal region of C-X-C motif chemokine 12 (CXCL12): Identification of plasma-stable cyclic peptides as novel, potent C-X-C chemokine receptor type 4 (CXCR4) antagonists.,Di Maro S, Trotta AM, Brancaccio D, Di Leva FS, La Pietra V, Ierano C, Napolitano M, Portella L, D'Alterio C, Siciliano RA, Sementa D, Tomassi S, Carotenuto A, Novellino E, Scala S, Marinelli L J Med Chem. 2016 Aug 29. PMID:27571038<ref>PMID:27571038</ref>

-	~~Description: NMR structure~~ of ~~peptide 10 targeting CXCR4~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Trotta~~, ~~A.M~~]]	+	<div class="pdbe-citations 5lfh" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Alterio, C D]]
	[[Category: Brancaccio, D]]		[[Category: Brancaccio, D]]
-	[[Category: ~~Siciliano~~, R.A]]	+	[[Category: Carotenuto, A]]
		+	[[Category: Ierano, C]]
		+	[[Category: Leva, F S.Di]]
	[[Category: Marinelli, L]]		[[Category: Marinelli, L]]
-	[[Category: ~~Tomassi~~, S]]	+	[[Category: Maro, S Di]]
-	[[Category: ~~Di Maro~~, S]]	+	[[Category: Napolitano, M]]
	[[Category: Novellino, E]]		[[Category: Novellino, E]]
-	[[Category: La Pietra, V]]	+	[[Category: Pietra, V La]]
-	[[Category: ~~Di Leva, F.S]]~~	+	[[Category: Portella, L]]
-	~~[[Category: Ierano~~, C]]	+
	[[Category: Scala, S]]		[[Category: Scala, S]]
-	[[Category: D'Alterio, C]]
-	[[Category: Napolitano, M]]
-	[[Category: Carotenuto, A]]
	[[Category: Sementa, D]]		[[Category: Sementa, D]]
-	[[Category: ~~Portella~~, L]]	+	[[Category: Siciliano, R A]]
		+	[[Category: Tomassi, S]]
		+	[[Category: Trotta, A M]]
		+	[[Category: Cancer]]
		+	[[Category: Chemokine]]
		+	[[Category: Cxcl12]]
		+	[[Category: Cxcr4]]
		+	[[Category: Cxcr4 antagonist]]
		+	[[Category: Cytokine]]
		+	[[Category: Drug design]]
		+	[[Category: Molecular invasion]]

OCA at 02:44, 4 August 2016

2016-08-04T02:44:26Z

←Older revision		Revision as of 02:44, 4 August 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5lfh is ON HOLD ~~until Paper Publication~~	+	The entry 5lfh is ON HOLD

	Authors: Di Maro, S., Trotta, A.M., Brancaccio, D., Di Leva, F.S., La Pietra, V., Ierano, C., Napolitano, M., Portella, L., D'Alterio, C., Siciliano, R.A., Sementa, D., Tomassi, S., Carotenuto, A., Novellino, E., Scala, S., Marinelli, L.		Authors: Di Maro, S., Trotta, A.M., Brancaccio, D., Di Leva, F.S., La Pietra, V., Ierano, C., Napolitano, M., Portella, L., D'Alterio, C., Siciliano, R.A., Sementa, D., Tomassi, S., Carotenuto, A., Novellino, E., Scala, S., Marinelli, L.

OCA: Protected "5lfh" [edit=sysop:move=sysop]

2016-07-14T10:03:27Z

Protected "5lfh" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:03, 14 July 2016

OCA: New page: '''Unreleased structure''' The entry 5lfh is ON HOLD until Paper Publication Authors: Di Maro, S., Trotta, A.M., Brancaccio, D., Di Leva, F.S., La Pietra, V., Ierano, C., Napolitano, M....

2016-07-14T10:03:26Z

New page: '''Unreleased structure''' The entry 5lfh is ON HOLD until Paper Publication Authors: Di Maro, S., Trotta, A.M., Brancaccio, D., Di Leva, F.S., La Pietra, V., Ierano, C., Napolitano, M....

New page

'''Unreleased structure'''

The entry 5lfh is ON HOLD until Paper Publication

Authors: Di Maro, S., Trotta, A.M., Brancaccio, D., Di Leva, F.S., La Pietra, V., Ierano, C., Napolitano, M., Portella, L., D'Alterio, C., Siciliano, R.A., Sementa, D., Tomassi, S., Carotenuto, A., Novellino, E., Scala, S., Marinelli, L.

Description: NMR structure of peptide 10 targeting CXCR4
[[Category: Unreleased Structures]]
[[Category: Trotta, A.M]]
[[Category: Brancaccio, D]]
[[Category: Siciliano, R.A]]
[[Category: Marinelli, L]]
[[Category: Tomassi, S]]
[[Category: Di Maro, S]]
[[Category: Novellino, E]]
[[Category: La Pietra, V]]
[[Category: Di Leva, F.S]]
[[Category: Ierano, C]]
[[Category: Scala, S]]
[[Category: D'Alterio, C]]
[[Category: Napolitano, M]]
[[Category: Carotenuto, A]]
[[Category: Sementa, D]]
[[Category: Portella, L]]