5fdp: Difference between revisions
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<StructureSection load='5fdp' size='340' side='right' caption='[[5fdp]], [[Resolution|resolution]] 2.25Å' scene=''> | <StructureSection load='5fdp' size='340' side='right' caption='[[5fdp]], [[Resolution|resolution]] 2.25Å' scene=''> | ||
== Structural highlights == | == 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> | <table><tr><td colspan='2'>[[5fdp]] is a 1 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=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> | </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='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">DDR1, CAK, EDDR1, NEP, NTRK4, PTK3A, RTK6, TRKE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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='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], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fdp ProSAT]</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], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fdp ProSAT]</span></td></tr> | ||
| Line 21: | Line 22: | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Human]] | |||
[[Category: Receptor protein-tyrosine kinase]] | [[Category: Receptor protein-tyrosine kinase]] | ||
[[Category: Arrowsmith, C H]] | [[Category: Arrowsmith, C H]] | ||
| Line 29: | Line 31: | ||
[[Category: Burgess-Brown, N]] | [[Category: Burgess-Brown, N]] | ||
[[Category: Chaikuad, A]] | [[Category: Chaikuad, A]] | ||
[[Category: Delft, F | [[Category: Delft, F von]] | ||
[[Category: Ding, K]] | [[Category: Ding, K]] | ||
[[Category: Edwards, A M]] | [[Category: Edwards, A M]] | ||
Revision as of 23:30, 24 January 2018
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
Structural highlights
Publication Abstract from PubMedThe 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. 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCACategories:
- Human
- Receptor protein-tyrosine kinase
- Arrowsmith, C H
- Bartual, S G
- Borkowska, O
- Bountra, C
- Bullock, A
- Burgess-Brown, N
- Chaikuad, A
- Delft, F von
- Ding, K
- Edwards, A M
- Kopec, J
- Kupinska, K
- Mahajan, P
- Mukhopadhyay, S
- Newman, J
- Pinkas, D M
- Structural genomic
- Sorell, F
- Strain-Damerell, C
- Tallant, C
- Talon, R
- Wang, Z
- Williams, E
- Ddr1 kinase
- Inhibitor
- Psi-biology
- Sgc
- Transferase