2vex

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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

2vex 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, 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
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

2vex, resolution 2.20Å

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