OCA at 09:30, 30 October 2019

OCA — Wed, 30 Oct 2019 09:30:59 GMT

←Older revision		Revision as of 09:30, 30 October 2019
Line 26:		Line 26:
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Non-specific protein-tyrosine kinase]]		[[Category: Non-specific protein-tyrosine kinase]]
		+	[[Category: Bach, J]]
		+	[[Category: Blaesse, M]]
		+	[[Category: Jestel, A]]
		+	[[Category: Lammens, A]]
	[[Category: Lozoya, E]]		[[Category: Lozoya, E]]
	[[Category: Segarra, V]]		[[Category: Segarra, V]]
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	[[Category: Janus kinase]]		[[Category: Janus kinase]]
	[[Category: Kinase domain]]		[[Category: Kinase domain]]
		+	[[Category: Protein binding]]
	[[Category: Proteros biostructures gmbh]]		[[Category: Proteros biostructures gmbh]]

OCA at 06:46, 23 October 2019

OCA — Wed, 23 Oct 2019 06:46:04 GMT

←Older revision		Revision as of 06:46, 23 October 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6hzu is ~~ON HOLD~~	+	==HUMAN JAK1 IN COMPLEX WITH LASW1393==
		+	<StructureSection load='6hzu' size='340' side='right'caption='[[6hzu]], [[Resolution\|resolution]] 2.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6hzu]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HZU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HZU FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GYQ:2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile'>GYQ</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </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=6hzu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hzu OCA], [http://pdbe.org/6hzu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hzu RCSB], [http://www.ebi.ac.uk/pdbsum/6hzu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hzu ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/JAK1_HUMAN JAK1_HUMAN]] Tyrosine kinase of the non-receptor type, involved in the IFN-alpha/beta/gamma signal pathway. Kinase partner for the interleukin (IL)-2 receptor.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Janus kinases (JAKs) have a key role in regulating the expression and function of relevant inflammatory cytokines involved in asthma and chronic obstructive pulmonary disease. Herein are described the design, synthesis, and pharmacological evaluation of a series of novel purinone JAK inhibitors with profiles suitable for inhaled administration. Replacement of the imidazopyridine hinge binding motif present in the initial compounds of this series with a pyridone ring resulted in the mitigation of cell cytotoxicity. Further systematic structure-activity relationship (SAR) efforts driven by structural biology studies led to the discovery of pyridone 34, a potent pan-JAK inhibitor with good selectivity, long lung retention time, low oral bioavailability, and proven efficacy in the lipopolysaccharide-induced rat model of airway inflammation by the inhaled route.

-	~~Authors:~~ Lozoya, E., ~~Segarra~~, V.	+	Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.,Bach J, Eastwood P, Gonzalez J, Gomez E, Alonso JA, Fonquerna S, Lozoya E, Orellana A, Maldonado M, Calaf E, Alberti J, Perez J, Andres A, Prats N, Carreno C, Calama E, De Alba J, Calbet M, Miralpeix M, Ramis I J Med Chem. 2019 Oct 14. doi: 10.1021/acs.jmedchem.9b00533. PMID:31609613<ref>PMID:31609613</ref>

-	~~Description~~: ~~HUMAN JAK1 IN COMPLEX WITH LASW1393~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Segarra, V~~]]	+	<div class="pdbe-citations 6hzu" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Non-specific protein-tyrosine kinase]]
	[[Category: Lozoya, E]]		[[Category: Lozoya, E]]
		+	[[Category: Segarra, V]]
		+	[[Category: Jak1]]
		+	[[Category: Janus kinase]]
		+	[[Category: Kinase domain]]
		+	[[Category: Proteros biostructures gmbh]]

OCA: Protected "6hzu" [edit=sysop:move=sysop]

OCA — Wed, 31 Oct 2018 05:14:59 GMT

Protected "6hzu" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:14, 31 October 2018

OCA: New page: '''Unreleased structure''' The entry 6hzu is ON HOLD Authors: Lozoya, E., Segarra, V. Description: HUMAN JAK1 IN COMPLEX WITH LASW1393 Category: Unreleased Structures [[Category: S...

OCA — Wed, 31 Oct 2018 05:14:58 GMT

New page: '''Unreleased structure''' The entry 6hzu is ON HOLD Authors: Lozoya, E., Segarra, V. Description: HUMAN JAK1 IN COMPLEX WITH LASW1393 Category: Unreleased Structures [[Category: S...

New page

'''Unreleased structure'''

The entry 6hzu is ON HOLD

Authors: Lozoya, E., Segarra, V.

Description: HUMAN JAK1 IN COMPLEX WITH LASW1393
[[Category: Unreleased Structures]]
[[Category: Segarra, V]]
[[Category: Lozoya, E]]

6hzu - Revision history

OCA at 09:30, 30 October 2019

OCA at 06:46, 23 October 2019

OCA: Protected "6hzu" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 6hzu is ON HOLD Authors: Lozoya, E., Segarra, V. Description: HUMAN JAK1 IN COMPLEX WITH LASW1393 Category: Unreleased Structures [[Category: S...