4I8N

CRYSTAL STRUCTURE of PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN INHIBITOR [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL)SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID

4I8N の概要

• エントリーDOI: 10.2210/pdb4i8n/pdb
• 関連するPDBエントリー: 2VEU
• 分子名称: Tyrosine-protein phosphatase non-receptor type 1, [(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid (3 entities in total)
• 機能のキーワード: protein phosphatase, ptp1b, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Endoplasmic reticulum membrane; Peripheral membrane protein; Cytoplasmic side: P18031
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 41287.92

構造登録者

Reddy, S.M.V.V.V.,Rao, K.N.,Subramanya, H. (登録日: 2012-12-03, 公開日: 2012-12-26, 最終更新日: 2024-02-28)

主引用文献

Reddy, M.V.,Ghadiyaram, C.,Panigrahi, S.K.,Krishnamurthy, N.R.,Hosahalli, S.,Chandrasekharappa, A.P.,Manna, D.,Badiger, S.E.,Dubey, P.K.,Mangamoori, L.N.
X-Ray Structure of PTP1B in Complex with a New PTP1B Inhibitor.
Protein Pept.Lett., 21:90-93, 2014

PubMed Abstract: 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.

PubMed: 23964742

実験手法

X-RAY DIFFRACTION (2.5 Å)