2q2z
From Proteopedia
| Line 4: | Line 4: | ||
|PDB= 2q2z |SIZE=350|CAPTION= <scene name='initialview01'>2q2z</scene>, resolution 3.00Å | |PDB= 2q2z |SIZE=350|CAPTION= <scene name='initialview01'>2q2z</scene>, resolution 3.00Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=ADP:ADENOSINE-5'-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MKK:1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-1-(2-FLUORO-5-METHYLPHENYL)-4-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL]ETHANONE'>MKK</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= KIF11, EG5, KNSL1, TRIP5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= KIF11, EG5, KNSL1, TRIP5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[2q2y|2Q2Y]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2q2z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2q2z OCA], [http://www.ebi.ac.uk/pdbsum/2q2z PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2q2z RCSB]</span> | ||
}} | }} | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Yan, Y.]] | [[Category: Yan, Y.]] | ||
| - | [[Category: ADP]] | ||
| - | [[Category: MG]] | ||
| - | [[Category: MKK]] | ||
[[Category: cell cycle]] | [[Category: cell cycle]] | ||
[[Category: ksp]] | [[Category: ksp]] | ||
[[Category: ksp-inhibitor complex]] | [[Category: ksp-inhibitor complex]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:43:52 2008'' |
Revision as of 01:43, 31 March 2008
| |||||||
| , resolution 3.00Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Gene: | KIF11, EG5, KNSL1, TRIP5 (Homo sapiens) | ||||||
| Related: | 2Q2Y
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure of KSP in Complex with Inhibitor 22
Overview
Inspired by previous efforts in the pyrazolobenzoxazine class of KSP inhibitors, the design and synthesis of 1,4-diaryl-4,5-dihydropyrazole inhibitors of KSP are described. Crystallographic evidence of binding mode and in vivo potency data is also highlighted.
About this Structure
2Q2Z is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP., Roecker AJ, Coleman PJ, Mercer SP, Schreier JD, Buser CA, Walsh ES, Hamilton K, Lobell RB, Tao W, Diehl RE, South VJ, Davide JP, Kohl NE, Yan Y, Kuo LC, Li C, Fernandez-Metzler C, Mahan EA, Prueksaritanont T, Hartman GD, Bioorg Med Chem Lett. 2007 Oct 15;17(20):5677-82. Epub 2007 Aug 21. PMID:17766111
Page seeded by OCA on Mon Mar 31 04:43:52 2008
