2vey: Difference between revisions

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[[Image:2vey.png|left|200px]]
==CRYSTAL STRUCUTRE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR==
<StructureSection load='2vey' size='340' side='right' caption='[[2vey]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2vey]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VEY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VEY FirstGlance]. <br>
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=IZ5:N-{(1S)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[4-(3-PHENYLPROPYL)-1H-IMIDAZOL-2-YL]ETHYL}-3-FLUOROBENZENESULFONAMIDE'>IZ5</scene><br>
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2f6t|2f6t]], [[2f6f|2f6f]], [[2cnf|2cnf]], [[2cm3|2cm3]], [[2cm2|2cm2]], [[1g1f|1g1f]], [[1q6n|1q6n]], [[1ptu|1ptu]], [[1c84|1c84]], [[2veu|2veu]], [[1q1m|1q1m]], [[1nz7|1nz7]], [[2azr|2azr]], [[1c88|1c88]], [[1oet|1oet]], [[1c83|1c83]], [[1sug|1sug]], [[1onz|1onz]], [[2cnh|2cnh]], [[1xbo|1xbo]], [[1ptv|1ptv]], [[1g1g|1g1g]], [[2hnp|2hnp]], [[1t49|1t49]], [[1nwl|1nwl]], [[2f6y|2f6y]], [[2cne|2cne]], [[1nl9|1nl9]], [[1c86|1c86]], [[1kav|1kav]], [[2hnq|2hnq]], [[1jf7|1jf7]], [[1pxh|1pxh]], [[1q6s|1q6s]], [[1l8g|1l8g]], [[2cma|2cma]], [[1q6m|1q6m]], [[1bzj|1bzj]], [[1i57|1i57]], [[1wax|1wax]], [[1ony|1ony]], [[1g1h|1g1h]], [[2cng|2cng]], [[1t4j|1t4j]], [[1kak|1kak]], [[2cni|2cni]], [[2b07|2b07]], [[2cm8|2cm8]], [[1eeo|1eeo]], [[1g7g|1g7g]], [[1ptt|1ptt]], [[1qxk|1qxk]], [[1ecv|1ecv]], [[1oem|1oem]], [[2cmb|2cmb]], [[1nwe|1nwe]], [[2fjn|2fjn]], [[1aax|1aax]], [[2vev|2vev]], [[2b4s|2b4s]], [[2cm7|2cm7]], [[2bgd|2bgd]], [[2vex|2vex]], [[1a5y|1a5y]], [[2cmc|2cmc]], [[1c85|1c85]], [[1lqf|1lqf]], [[2f6w|2f6w]], [[1c87|1c87]], [[1no6|1no6]], [[1pyn|1pyn]], [[2bge|2bge]], [[1oes|1oes]], [[1bzc|1bzc]], [[2f6z|2f6z]], [[2f71|2f71]], [[1oeu|1oeu]], [[1q6t|1q6t]], [[1g7f|1g7f]], [[1nny|1nny]], [[2f70|2f70]], [[1q6j|1q6j]], [[1q6p|1q6p]], [[2f6v|2f6v]], [[1t48|1t48]], [[2fjm|2fjm]], [[1oeo|1oeo]], [[1pa1|1pa1]], [[1ph0|1ph0]], [[1bzh|1bzh]], [[1gfy|1gfy]], [[1een|1een]], [[1oev|1oev]], [[1pty|1pty]]</td></tr>
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </span></td></tr>
<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vey FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vey OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vey RCSB], [http://www.ebi.ac.uk/pdbsum/2vey PDBsum]</span></td></tr>
<table>
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ve/2vey_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The structure-based design and synthesis of isothiazolidinone (IZD) inhibitors of PTP1B containing imidazoles and imidazolines and their modification to interact with the B site of PTP1B are described here. The X-ray crystal structures of 3I and 4I complexed with PTP1B were solved and revealed the inhibitors are interacting extensively with the B site of the enzyme.


{{STRUCTURE_2vey|  PDB=2vey  |  SCENE=  }}
Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines.,Douty B, Wayland B, Ala PJ, Bower MJ, Pruitt J, Bostrom L, Wei M, Klabe R, Gonneville L, Wynn R, Burn TC, Liu PC, Combs AP, Yue EW Bioorg Med Chem Lett. 2008 Jan 1;18(1):66-71. Epub 2007 Nov 9. PMID:18037290<ref>PMID:18037290</ref>


===CRYSTAL STRUCUTRE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR===
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 
</div>
{{ABSTRACT_PUBMED_18037290}}
 
==About this Structure==
[[2vey]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VEY OCA].


==See Also==
==See Also==
*[[Tyrosine phosphatase|Tyrosine phosphatase]]
*[[Tyrosine phosphatase|Tyrosine phosphatase]]
 
== References ==
==Reference==
<references/>
<ref group="xtra">PMID:018037290</ref><references group="xtra"/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Protein-tyrosine-phosphatase]]
[[Category: Protein-tyrosine-phosphatase]]

Revision as of 10:20, 29 September 2014

CRYSTAL STRUCUTRE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITORCRYSTAL STRUCUTRE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR

Structural highlights

2vey is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Related:2f6t, 2f6f, 2cnf, 2cm3, 2cm2, 1g1f, 1q6n, 1ptu, 1c84, 2veu, 1q1m, 1nz7, 2azr, 1c88, 1oet, 1c83, 1sug, 1onz, 2cnh, 1xbo, 1ptv, 1g1g, 2hnp, 1t49, 1nwl, 2f6y, 2cne, 1nl9, 1c86, 1kav, 2hnq, 1jf7, 1pxh, 1q6s, 1l8g, 2cma, 1q6m, 1bzj, 1i57, 1wax, 1ony, 1g1h, 2cng, 1t4j, 1kak, 2cni, 2b07, 2cm8, 1eeo, 1g7g, 1ptt, 1qxk, 1ecv, 1oem, 2cmb, 1nwe, 2fjn, 1aax, 2vev, 2b4s, 2cm7, 2bgd, 2vex, 1a5y, 2cmc, 1c85, 1lqf, 2f6w, 1c87, 1no6, 1pyn, 2bge, 1oes, 1bzc, 2f6z, 2f71, 1oeu, 1q6t, 1g7f, 1nny, 2f70, 1q6j, 1q6p, 2f6v, 1t48, 2fjm, 1oeo, 1pa1, 1ph0, 1bzh, 1gfy, 1een, 1oev, 1pty
Activity:Protein-tyrosine-phosphatase, with EC number 3.1.3.48
Resources:FirstGlance, OCA, RCSB, PDBsum

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

The structure-based design and synthesis of isothiazolidinone (IZD) inhibitors of PTP1B containing imidazoles and imidazolines and their modification to interact with the B site of PTP1B are described here. The X-ray crystal structures of 3I and 4I complexed with PTP1B were solved and revealed the inhibitors are interacting extensively with the B site of the enzyme.

Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines.,Douty B, Wayland B, Ala PJ, Bower MJ, Pruitt J, Bostrom L, Wei M, Klabe R, Gonneville L, Wynn R, Burn TC, Liu PC, Combs AP, Yue EW Bioorg Med Chem Lett. 2008 Jan 1;18(1):66-71. Epub 2007 Nov 9. PMID:18037290[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. ↑ Douty B, Wayland B, Ala PJ, Bower MJ, Pruitt J, Bostrom L, Wei M, Klabe R, Gonneville L, Wynn R, Burn TC, Liu PC, Combs AP, Yue EW. Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines. Bioorg Med Chem Lett. 2008 Jan 1;18(1):66-71. Epub 2007 Nov 9. PMID:18037290 doi:10.1016/j.bmcl.2007.11.012

2vey, resolution 2.20Å

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OCA
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