TY - JOUR
T1 - X-ray structure of PTP1B in complex with a new PTP1B inhibitor
AU - Reddy, M. V.V.V.Sekhar
AU - Ghadiyaram, Chakshumathi
AU - Panigrahi, Sunil Kumar
AU - Krishnamurthy, Narasimha Rao
AU - Hosahalli, Subramanya
AU - Chandrasekharappa, Arun P.
AU - Manna, Dipankar
AU - Badiger, Sangamesh E.
AU - Dubey, Pramod K.
AU - Mangamoori, Lakshmi Narasu
PY - 2014/1
Y1 - 2014/1
N2 - Protein tyrosine phosphatase 1B (PTP1B) is a prototype non receptor cytoplasmic PTPase enzyme that has been implicated in regulation of insulin and leptin signaling pathways. Studies on PTP1B knockout mice and PTP1B antisense treated mice suggested that inhibition of PTP1B would be an effective strategy for the treatment of type II diabetes and obesity. Here we report the X-ray structure of PTP1B in complex with compound IN1834-146C (PDB ID 4I8N). The crystals belong to P3121 space group with cell dimensions (a = b = 87.89 Å, c = 103.68 Å) diffracted to 2.5 Å. The crystal structure contained one molecule of protein in the asymmetric unit and was solved by molecular replacement method. The compound engages both catalytic site and allosteric sites of PTP1B protein. We described the molecular interaction of the compound with the active site residues of PTP1B in this crystal structure report.
AB - Protein tyrosine phosphatase 1B (PTP1B) is a prototype non receptor cytoplasmic PTPase enzyme that has been implicated in regulation of insulin and leptin signaling pathways. Studies on PTP1B knockout mice and PTP1B antisense treated mice suggested that inhibition of PTP1B would be an effective strategy for the treatment of type II diabetes and obesity. Here we report the X-ray structure of PTP1B in complex with compound IN1834-146C (PDB ID 4I8N). The crystals belong to P3121 space group with cell dimensions (a = b = 87.89 Å, c = 103.68 Å) diffracted to 2.5 Å. The crystal structure contained one molecule of protein in the asymmetric unit and was solved by molecular replacement method. The compound engages both catalytic site and allosteric sites of PTP1B protein. We described the molecular interaction of the compound with the active site residues of PTP1B in this crystal structure report.
KW - Protein tyrosine phosphatases (PTP1B)
KW - T cell PTP (TCPTP) and X-ray crystallography
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U2 - 10.2174/09298665113209990089
DO - 10.2174/09298665113209990089
M3 - Article
C2 - 23964742
AN - SCOPUS:84891394759
SN - 0929-8665
VL - 21
SP - 90
EP - 93
JO - Protein and Peptide Letters
JF - Protein and Peptide Letters
IS - 1
ER -