2vev

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|PDB= 2vev |SIZE=350|CAPTION= <scene name='initialview01'>2vev</scene>, resolution 1.8&Aring;
|PDB= 2vev |SIZE=350|CAPTION= <scene name='initialview01'>2vev</scene>, resolution 1.8&Aring;
|SITE= <scene name='pdbsite=AC1:Iz2+Binding+Site+For+Chain+A'>AC1</scene> and <scene name='pdbsite=AC2:Mg+Binding+Site+For+Chain+A'>AC2</scene>
|SITE= <scene name='pdbsite=AC1:Iz2+Binding+Site+For+Chain+A'>AC1</scene> and <scene name='pdbsite=AC2:Mg+Binding+Site+For+Chain+A'>AC2</scene>
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|LIGAND= <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene> and <scene name='pdbligand=IZ2:N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide'>IZ2</scene>
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|LIGAND= <scene name='pdbligand=IZ2:N-[(1S)-1-(4-BENZYL-1H-IMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE'>IZ2</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>
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|ACTIVITY= [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]
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|ACTIVITY= <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>
|GENE=
|GENE=
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|DOMAIN=
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|RELATEDENTRY=[[1bzc|1BZC]], [[1c83|1C83]], [[1g1g|1G1G]], [[1g1h|1G1H]], [[1i57|1I57]], [[1jf7|1JF7]], [[1kak|1KAK]], [[1kav|1KAV]], [[1nl9|1NL9]], [[1nny|1NNY]], [[1nwl|1NWL]], [[1nz7|1NZ7]], [[1oeo|1OEO]], [[1oev|1OEV]], [[1ony|1ONY]], [[1pa1|1PA1]], [[1pty|1PTY]], [[1pxh|1PXH]], [[1q1m|1Q1M]], [[1q6j|1Q6J]], [[1sug|1SUG]], [[1a5y|1A5Y]], [[1aax|1AAX]], [[1bzh|1BZH]], [[1bzj|1BZJ]], [[1c84|1C84]], [[1c85|1C85]], [[1c86|1C86]], [[1c87|1C87]], [[1c88|1C88]], [[1ecv|1ECV]], [[1een|1EEN]], [[1eeo|1EEO]], [[1g1f|1G1F]], [[1g7f|1G7F]], [[1g7g|1G7G]], [[1gfy|1GFY]], [[1l8g|1L8G]], [[1lqf|1LQF]], [[1t48|1T48]], [[1t49|1T49]], [[1t4j|1T4J]], [[1xbo|1XBO]], [[2azr|2AZR]], [[2bgd|2BGD]], [[2bge|2BGE]], [[2cm2|2CM2]], [[2cm7|2CM7]], [[2cm8|2CM8]], [[2cma|2CMA]], [[2cmb|2CMB]], [[2cnh|2CNH]], [[2cni|2CNI]], [[2f6w|2F6W]], [[2f6y|2F6Y]], [[2f70|2F70]], [[2hnq|2HNQ]], [[1no6|1NO6]], [[1nwe|1NWE]], [[1oem|1OEM]], [[1oes|1OES]], [[1oet|1OET]], [[1oeu|1OEU]], [[1onz|1ONZ]], [[1ph0|1PH0]], [[1ptt|1PTT]], [[1ptu|1PTU]], [[1ptv|1PTV]], [[1pyn|1PYN]], [[1q6m|1Q6M]], [[1q6n|1Q6N]], [[1q6p|1Q6P]], [[1q6s|1Q6S]], [[1q6t|1Q6T]], [[1qxk|1QXK]], [[1wax|1WAX]], [[2b07|2B07]], [[2b4s|2B4S]], [[2cm3|2CM3]], [[2cmc|2CMC]], [[2cne|2CNE]], [[2cnf|2CNF]], [[2cng|2CNG]], [[2f6f|2F6F]], [[2f6t|2F6T]], [[2f6v|2F6V]], [[2f6z|2F6Z]], [[2f71|2F71]], [[2fjm|2FJM]], [[2fjn|2FJN]], [[2hnp|2HNP]], [[2veu|2VEU]], [[2vew|2VEW]], [[2vex|2VEX]], [[2vey|2VEY]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vev FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vev OCA], [http://www.ebi.ac.uk/pdbsum/2vev PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2vev RCSB]</span>
}}
}}
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==Overview==
==Overview==
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.
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.
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==Disease==
 
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Known diseases associated with this structure: Abdominal body fat distribution, modifier of OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=176885 176885]], Insulin resistance, susceptibility to OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=176885 176885]]
 
==About this Structure==
==About this Structure==
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[[Category: Wynn, R.]]
[[Category: Wynn, R.]]
[[Category: Yue, E W.]]
[[Category: Yue, E W.]]
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[[Category: IZ2]]
 
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[[Category: MG]]
 
[[Category: acetylation]]
[[Category: acetylation]]
[[Category: endoplasmic reticulum]]
[[Category: endoplasmic reticulum]]
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[[Category: protein phosphatase]]
[[Category: protein phosphatase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:45:55 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:11:24 2008''

Revision as of 02:11, 31 March 2008

Image:2vev.jpg


PDB ID 2vev

Drag the structure with the mouse to rotate
, resolution 1.8Å
Sites: and
Ligands: ,
Activity: Protein-tyrosine-phosphatase, with EC number 3.1.3.48
Related: 1BZC, 1C83, 1G1G, 1G1H, 1I57, 1JF7, 1KAK, 1KAV, 1NL9, 1NNY, 1NWL, 1NZ7, 1OEO, 1OEV, 1ONY, 1PA1, 1PTY, 1PXH, 1Q1M, 1Q6J, 1SUG, 1A5Y, 1AAX, 1BZH, 1BZJ, 1C84, 1C85, 1C86, 1C87, 1C88, 1ECV, 1EEN, 1EEO, 1G1F, 1G7F, 1G7G, 1GFY, 1L8G, 1LQF, 1T48, 1T49, 1T4J, 1XBO, 2AZR, 2BGD, 2BGE, 2CM2, 2CM7, 2CM8, 2CMA, 2CMB, 2CNH, 2CNI, 2F6W, 2F6Y, 2F70, 2HNQ, 1NO6, 1NWE, 1OEM, 1OES, 1OET, 1OEU, 1ONZ, 1PH0, 1PTT, 1PTU, 1PTV, 1PYN, 1Q6M, 1Q6N, 1Q6P, 1Q6S, 1Q6T, 1QXK, 1WAX, 2B07, 2B4S, 2CM3, 2CMC, 2CNE, 2CNF, 2CNG, 2F6F, 2F6T, 2F6V, 2F6Z, 2F71, 2FJM, 2FJN, 2HNP, 2VEU, 2VEW, 2VEX, 2VEY


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



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


Overview

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.

About this Structure

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

Reference

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

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