7be6 - Revision history

OCA at 12:26, 1 February 2024

2024-02-01T12:26:42Z

←Older revision		Revision as of 12:26, 1 February 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7be6]] is a 1 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=7BE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BE6 FirstGlance]. <br>		<table><tr><td colspan='2'>[[7be6]] is a 1 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=7BE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BE6 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TJW:5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide'>TJW</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]] 1.8708193Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TJW:5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide'>TJW</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=7be6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7be6 OCA], [https://pdbe.org/7be6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7be6 RCSB], [https://www.ebi.ac.uk/pdbsum/7be6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7be6 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=7be6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7be6 OCA], [https://pdbe.org/7be6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7be6 RCSB], [https://www.ebi.ac.uk/pdbsum/7be6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7be6 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/DDR1_HUMAN DDR1_HUMAN]]	+	[https://www.uniprot.org/uniprot/DDR1_HUMAN DDR1_HUMAN]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 07:00, 14 September 2022

2022-09-14T07:00:30Z

←Older revision		Revision as of 07:00, 14 September 2022
Line 1:		Line 1:

	==Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159==		==Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159==
-	<StructureSection load='7be6' size='340' side='right'caption='[[7be6]]' scene=''>	+	<StructureSection load='7be6' size='340' side='right'caption='[[7be6]], [[Resolution\|resolution]] 1.87Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BE6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7be6]] is a 1 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=7BE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BE6 FirstGlance]. <br>
-	</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=7be6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7be6 OCA], [https://pdbe.org/7be6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7be6 RCSB], [https://www.ebi.ac.uk/pdbsum/7be6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7be6 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TJW:5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide'>TJW</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=7be6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7be6 OCA], [https://pdbe.org/7be6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7be6 RCSB], [https://www.ebi.ac.uk/pdbsum/7be6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7be6 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/DDR1_HUMAN DDR1_HUMAN]]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Discoidin domain receptors 1 and 2 (DDR1/2) play a central role in fibrotic disorders, such as renal and pulmonary fibrosis, atherosclerosis, and various forms of cancer. Potent and selective inhibitors, so-called chemical probe compounds, have been developed to study DDR1/2 kinase signaling. However, these inhibitors showed undesired activity on other kinases such as the tyrosine protein kinase receptor TIE or tropomyosin receptor kinases, which are related to angiogenesis and neuronal toxicity. In this study, we optimized our recently published p38 mitogen-activated protein kinase inhibitor 7 toward a potent and cell-active dual DDR/p38 chemical probe and developed a structurally related negative control. The structure-guided design approach used provided insights into the P-loop folding process of p38 and how targeting of non-conserved amino acids modulates inhibitor selectivity. The developed and comprehensively characterized DDR/p38 probe, 30 (SR-302), is a valuable tool for studying the role of DDR kinase in normal physiology and in disease development.
		+
		+	Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.,Rohm S, Berger BT, Schroder M, Chatterjee D, Mathea S, Joerger AC, Pinkas DM, Bufton JC, Tjaden A, Kovooru L, Kudolo M, Pohl C, Bullock AN, Muller S, Laufer S, Knapp S J Med Chem. 2021 Sep 23;64(18):13451-13474. doi: 10.1021/acs.jmedchem.1c00868., Epub 2021 Sep 10. PMID:34506142<ref>PMID:34506142</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7be6" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Epithelial discoidin domain-containing receptor\|Epithelial discoidin domain-containing receptor]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Bufton JC]]		[[Category: Bufton JC]]

OCA at 14:44, 3 March 2021

2021-03-03T14:44:45Z

←Older revision		Revision as of 14:44, 3 March 2021
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7be6 ~~is ON HOLD~~	+	==Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159==
-		+	<StructureSection load='7be6' size='340' side='right'caption='[[7be6]]' scene=''>
-	~~Authors~~: ~~Pinkas, D~~.M.~~, Bufton, J~~.C.~~, Roehm, S~~., ~~Joerger, A~~.C., ~~Knapp~~, S., ~~Bullock, A~~.N., ~~Structural Genomics Consortium (SGC)~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BE6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BE6 FirstGlance]. <br>
-	~~Description: Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159~~	+	</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=7be6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7be6 OCA], [https://pdbe.org/7be6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7be6 RCSB], [https://www.ebi.ac.uk/pdbsum/7be6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7be6 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Knapp, S~~]]	+	__TOC__
-	[[Category: ~~Pinkas, D.M]]~~	+	</StructureSection>
-	~~[[Category: Roehm, S~~]]	+	[[Category: Large Structures]]
-	[[Category: Joerger~~, A.C~~]]	+	[[Category: Bufton JC]]
-	[[Category: ~~Structural Genomics Consortium (Sgc)~~]]	+	[[Category: Bullock AN]]
-	[[Category: ~~Bullock, A.N~~]]	+	[[Category: Joerger AC]]
-	[[Category: ~~Bufton, J.C~~]]	+	[[Category: Knapp S]]
		+	[[Category: Pinkas DM]]
		+	[[Category: Roehm S]]

OCA: Protected "7be6" [edit=sysop:move=sysop]

2020-12-30T05:19:04Z

Protected "7be6" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:19, 30 December 2020

OCA: New page: '''Unreleased structure''' The entry 7be6 is ON HOLD Authors: Pinkas, D.M., Bufton, J.C., Roehm, S., Joerger, A.C., Knapp, S., Bullock, A.N., Structural Genomics Consortium (SGC) Descr...

2020-12-30T05:19:03Z

New page: '''Unreleased structure''' The entry 7be6 is ON HOLD Authors: Pinkas, D.M., Bufton, J.C., Roehm, S., Joerger, A.C., Knapp, S., Bullock, A.N., Structural Genomics Consortium (SGC) Descr...

New page

'''Unreleased structure'''

The entry 7be6 is ON HOLD

Authors: Pinkas, D.M., Bufton, J.C., Roehm, S., Joerger, A.C., Knapp, S., Bullock, A.N., Structural Genomics Consortium (SGC)

Description: Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159
[[Category: Unreleased Structures]]
[[Category: Knapp, S]]
[[Category: Pinkas, D.M]]
[[Category: Roehm, S]]
[[Category: Joerger, A.C]]
[[Category: Structural Genomics Consortium (Sgc)]]
[[Category: Bullock, A.N]]
[[Category: Bufton, J.C]]