2vex: Difference between revisions

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Revision as of 05:11, 31 March 2008

File:2vex.jpg

, resolution 2.2Å

Sites:

and

Ligands:

,

Activity:

Protein-tyrosine-phosphatase, with EC number 3.1.3.48

Related:

2F6T, 2F6F, 2CNF, 2CM3, 2CM2, 1G1F, 1Q6N, 1PTU, 1C84, 2VEU, 1Q1M, 1NZ7, 2AZR, 1C88, 1OET, 1C83, 1SUG, 1ONZ, 1PTV, 2CNH, 1XBO, 1G1G, 2HNP, 1T49, 1NWL, 2F6Y, 2CNE, 1NL9, 1C86, 1KAV, 2HNQ, 1JF7, 1PXH, 1Q6S, 1L8G, 2CMA, 1Q6M, 1I57, 1BZJ, 1WAX, 1ONY, 1G1H, 2CNG, 1T4J, 1KAK, 2CNI, 2B07, 2CM8, 1EEO, 1PTT, 1G7G, 1QXK, 1ECV, 1OEM, 2CMB, 1NWE, 2FJN, 1AAX, 2VEV, 2VEY, 2B4S, 2BGD, 2CM7, 1A5Y, 2CMC, 1C85, 1LQF, 1C87, 2F6W, 1NO6, 1PYN, 2BGE, 1OES, 1BZC, 2F6Z, 2F71, 1Q6T, 1OEU, 1G7F, 1NNY, 1Q6J, 2F70, 1Q6P, 2F6V, 1T48, 2FJM, 1OEO, 1PA1, 1PH0, 1BZH, 1GFY, 1EEN, 1PTY, 1OEV

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

OverviewOverview

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 StructureAbout this Structure

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

ReferenceReference

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

Page seeded by OCA on Mon Mar 31 05:11:28 2008

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

OCA

@@ Line 4: / Line 4: @@
 |PDB= 2vex |SIZE=350|CAPTION= <scene name='initialview01'>2vex</scene>, resolution 2.2&Aring;
 |SITE= <scene name='pdbsite=AC1:Iz4+Binding+Site+For+Chain+A'>AC1</scene> and <scene name='pdbsite=AC2:Mg+Binding+Site+For+Chain+A'>AC2</scene>
-|LIGAND= <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene> and <scene name='pdbligand=IZ4:N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide'>IZ4</scene>
+|LIGAND= <scene name='pdbligand=IZ4:N-{(1S)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[(4R)-4-(2-PHENYLETHYL)-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]ETHYL}-3-FLUOROBENZENESULFONAMIDE'>IZ4</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>
-|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]
+|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=
+|DOMAIN=
+|RELATEDENTRY=[[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]], [[1ptv|1PTV]], [[2cnh|2CNH]], [[1xbo|1XBO]], [[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]], [[1i57|1I57]], [[1bzj|1BZJ]], [[1wax|1WAX]], [[1ony|1ONY]], [[1g1h|1G1H]], [[2cng|2CNG]], [[1t4j|1T4J]], [[1kak|1KAK]], [[2cni|2CNI]], [[2b07|2B07]], [[2cm8|2CM8]], [[1eeo|1EEO]], [[1ptt|1PTT]], [[1g7g|1G7G]], [[1qxk|1QXK]], [[1ecv|1ECV]], [[1oem|1OEM]], [[2cmb|2CMB]], [[1nwe|1NWE]], [[2fjn|2FJN]], [[1aax|1AAX]], [[2vev|2VEV]], [[2vey|2VEY]], [[2b4s|2B4S]], [[2bgd|2BGD]], [[2cm7|2CM7]], [[1a5y|1A5Y]], [[2cmc|2CMC]], [[1c85|1C85]], [[1lqf|1LQF]], [[1c87|1C87]], [[2f6w|2F6W]], [[1no6|1NO6]], [[1pyn|1PYN]], [[2bge|2BGE]], [[1oes|1OES]], [[1bzc|1BZC]], [[2f6z|2F6Z]], [[2f71|2F71]], [[1q6t|1Q6T]], [[1oeu|1OEU]], [[1g7f|1G7F]], [[1nny|1NNY]], [[1q6j|1Q6J]], [[2f70|2F70]], [[1q6p|1Q6P]], [[2f6v|2F6V]], [[1t48|1T48]], [[2fjm|2FJM]], [[1oeo|1OEO]], [[1pa1|1PA1]], [[1ph0|1PH0]], [[1bzh|1BZH]], [[1gfy|1GFY]], [[1een|1EEN]], [[1pty|1PTY]], [[1oev|1OEV]]
+|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vex FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vex OCA], [http://www.ebi.ac.uk/pdbsum/2vex PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2vex RCSB]</span>
 }}
@@ Line 14: / Line 17: @@
 ==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.
-==Disease==
-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==
@@ Line 40: / Line 40: @@
 [[Category: Wynn, R.]]
 [[Category: Yue, E W.]]
-[[Category: IZ4]]
-[[Category: MG]]
 [[Category: acetylation]]
 [[Category: endoplasmic reticulum]]
@@ Line 52: / Line 50: @@
 [[Category: protein phosphatase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:45:53 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:11:28 2008''