1yrs: Difference between revisions

Revision as of 16:41, 3 May 2008

Ligands:

, ,

Gene:

KIF11, EG5, KNSL1 (Homo sapiens)

Structural annotation:
Resources:	CATH : 1Yrsa00, 1Yrsb00 InterPro : Ipr001752 Pfam : PF00225 UniProt : P52732

Functional annotation:
Cellular component:	spindle microtubule kinesin complex microtubule spindle pole microtubule associated complex spindle
Biological process:	spindle pole body organization and biogenesis mitosis mitotic spindle organization and biogenesis mitotic centrosome separation microtubule-based movement cell division cell cycle
Molecular function:	motor activity nucleotide binding ATP binding microtubule motor activity

Evolutionary conservation:

Toggle Conservation Colors:	Rows = identical sequences:
Further Information:	Caveats, Explanation, Complete Results at ConSurfDB

Resources:

FirstGlance, OCA, RCSB, PDBsum

Coordinates:

save as pdb, mmCIF, xml

Crystal structure of KSP in complex with inhibitor 1

OverviewOverview

Optimization of high-throughput screening (HTS) hits resulted in the discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of KSP. Dihydropyrazole 15 is a potent, cell-active KSP inhibitor that induces apoptosis and generates aberrant mitotic spindles in human ovarian carcinoma cells at low nanomolar concentrations. X-ray crystallographic evidence is presented which demonstrates that these inhibitors bind in an allosteric pocket of KSP distant from the nucleotide and microtubule binding sites.

About this StructureAbout this Structure

1YRS is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP., Cox CD, Breslin MJ, Mariano BJ, Coleman PJ, Buser CA, Walsh ES, Hamilton K, Huber HE, Kohl NE, Torrent M, Yan Y, Kuo LC, Hartman GD, Bioorg Med Chem Lett. 2005 Apr 15;15(8):2041-5. PMID:15808464 Page seeded by OCA on Sat May 3 16:41:57 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:1yrs.jpg|left|200px]]
- {{Structure
+<!--
-|PDB= 1yrs |SIZE=350|CAPTION= <scene name='initialview01'>1yrs</scene>, resolution 2.5&Aring;
+The line below this paragraph, containing "STRUCTURE_1yrs", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=ADP:ADENOSINE-5&#39;-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=L47:3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL'>L47</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY=
+or leave the SCENE parameter empty for the default display.
-|GENE= KIF11, EG5, KNSL1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+-->
-|DOMAIN=
+{{STRUCTURE_1yrs|  PDB=1yrs  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1yrs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yrs OCA], [http://www.ebi.ac.uk/pdbsum/1yrs PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1yrs RCSB]</span>
-}}
 '''Crystal structure of KSP in complex with inhibitor 1'''
@@ Line 37: / Line 34: @@
 [[Category: Walsh, E S.]]
 [[Category: Yan, Y.]]
-[[Category: cell cycle]]
+[[Category: Cell cycle]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 16:41:57 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:19:35 2008''