5fdp: Difference between revisions

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-'''Unreleased structure'''
-The entry 5fdp is ON HOLD  until Paper Publication
+==Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.==
+<StructureSection load='5fdp' size='340' side='right' caption='[[5fdp]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5fdp]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FDP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FDP FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5WR:(4~{S})-4-METHYL-~{N}-[3-[(4-METHYLPIPERAZIN-1-YL)METHYL]-5-(TRIFLUOROMETHYL)PHENYL]-2-PYRIMIDIN-5-YL-3,4-DIHYDRO-1~{H}-ISOQUINOLINE-7-CARBOXAMIDE'>5WR</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </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=5fdp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fdp OCA], [http://pdbe.org/5fdp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fdp RCSB], [http://www.ebi.ac.uk/pdbsum/5fdp PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The structure-based design of 1, 2, 3, 4-tetrahydroisoquinoline derivatives as selective DDR1 inhibitors is reported. One of the representative compounds, 6j, binds to DDR1 with a Kd value of 4.7 nM and suppresses its kinase activity with an IC50 value of 9.4 nM, but it is significantly less potent for a panel of 400 nonmutated kinases. 6j also demonstrated reasonable pharmacokinetic properties and a promising oral therapeutic effect in a bleomycin-induced mouse pulmonary fibrosis model.
-Authors: Bartual, S.G., Pinkas, D.M., Wang, Z., Ding, K., Mahajan, P., Kupinska, K., Mukhopadhyay, S., Strain-Damerell, C., Borkowska, O., Talon, R., Kopec, J., Williams, E., Tallant, C., Chaikuad, A., Sorell, F., Newman, J., Burgess-Brown, N., Arrowsmith, C.H., Von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
+Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.,Wang Z, Bian H, Bartual SG, Du W, Luo J, Zhao H, Zhang S, Mo C, Zhou Y, Xu Y, Tu Z, Ren X, Lu X, Brekken RA, Yao L, Bullock AN, Su J, Ding K J Med Chem. 2016 Jun 3. PMID:27219676<ref>PMID:27219676</ref>
-Description: Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 5fdp" style="background-color:#fffaf0;"></div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Receptor protein-tyrosine kinase]]
+[[Category: Arrowsmith, C H]]
+[[Category: Bartual, S G]]
+[[Category: Borkowska, O]]
+[[Category: Bountra, C]]
 [[Category: Bullock, A]]
+[[Category: Burgess-Brown, N]]
 [[Category: Chaikuad, A]]
-[[Category: Sorell, F]]
+[[Category: Delft, F Von]]
-[[Category: Burgess-Brown, N]]
-[[Category: Borkowska, O]]
-[[Category: Pinkas, D.M]]
-[[Category: Newman, J]]
-[[Category: Mukhopadhyay, S]]
 [[Category: Ding, K]]
-[[Category: Wang, Z]]
+[[Category: Edwards, A M]]
-[[Category: Bountra, C]]
+[[Category: Kopec, J]]
-[[Category: Bartual, S.G]]
 [[Category: Kupinska, K]]
-[[Category: Arrowsmith, C.H]]
-[[Category: Williams, E]]
-[[Category: Kopec, J]]
-[[Category: Von Delft, F]]
 [[Category: Mahajan, P]]
-[[Category: Edwards, A.M]]
+[[Category: Mukhopadhyay, S]]
+[[Category: Newman, J]]
+[[Category: Pinkas, D M]]
+[[Category: Structural genomic]]
+[[Category: Sorell, F]]
+[[Category: Strain-Damerell, C]]
+[[Category: Tallant, C]]
 [[Category: Talon, R]]
-[[Category: Structural Genomics Consortium (Sgc)]]
+[[Category: Wang, Z]]
-[[Category: Tallant, C]]
+[[Category: Williams, E]]
-[[Category: Strain-Damerell, C]]
+[[Category: Ddr1 kinase]]
+[[Category: Inhibitor]]
+[[Category: Psi-biology]]
+[[Category: Sgc]]
+[[Category: Transferase]]