2pe2

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[[Image:2pe2.jpg|left|200px]]
[[Image:2pe2.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2pe2 |SIZE=350|CAPTION= <scene name='initialview01'>2pe2</scene>, resolution 2.13&Aring;
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The line below this paragraph, containing "STRUCTURE_2pe2", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=464:3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE'>464</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= PDPK1, PDK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2pe2| PDB=2pe2 | SCENE= }}
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|RELATEDENTRY=[[1z5m|1Z5M]], [[1oky|1OKY]], [[1okz|1OKZ]], [[1uu3|1UU3]], [[1uu7|1UU7]], [[1uu8|1UU8]], [[1uu9|1UU9]], [[1uvr|1UVR]], [[1h1w|1H1W]], [[2pe0|2PE0]], [[2pe1|2PE1]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2pe2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pe2 OCA], [http://www.ebi.ac.uk/pdbsum/2pe2 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2pe2 RCSB]</span>
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}}
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'''CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX'''
'''CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX'''
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[[Category: Adler, M.]]
[[Category: Adler, M.]]
[[Category: Whitlow, M.]]
[[Category: Whitlow, M.]]
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[[Category: protein inhibitor complex]]
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[[Category: Protein inhibitor complex]]
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[[Category: serine kinase]]
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[[Category: Serine kinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 12:56:22 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:34:38 2008''
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Revision as of 09:56, 4 May 2008

Image:2pe2.jpg

Template:STRUCTURE 2pe2

CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX


Overview

Based on the lead compound BX-517, a series of C-4' substituted indolinones have been synthesized and evaluated for PDK1 inhibition. Modification at C-4' of the pyrrole afforded potent compounds (7b and 7d) with improved solubility and ADME properties. In this letter, we describe the synthesis, selectivity profile, and pharmacokinetic data of selected compounds.

About this Structure

2PE2 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: optimization of BX-517., Islam I, Brown G, Bryant J, Hrvatin P, Kochanny MJ, Phillips GB, Yuan S, Adler M, Whitlow M, Lentz D, Polokoff MA, Wu J, Shen J, Walters J, Ho E, Subramanyam B, Zhu D, Feldman RI, Arnaiz DO, Bioorg Med Chem Lett. 2007 Jul 15;17(14):3819-25. Epub 2007 May 23. PMID:17544272 Page seeded by OCA on Sun May 4 12:56:22 2008

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