1PH0

Non-carboxylic Acid-Containing Inhibitor of PTP1B Targeting the Second Phosphotyrosine Site

Summary for 1PH0

• Entry DOI: 10.2210/pdb1ph0/pdb
• Related: 1N06 1NL9 1NNY 1NZ7 1ONY 1ONZ
• Descriptor: Protein-tyrosine phosphatase, non-receptor type 1, 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZ OIC ACID METHYL ESTER (3 entities in total)
• Functional Keywords: protein tyrosine phosphatase 1b, oxalyl-aryl-benzoic acid compound inhibitor, salicylic acid moiety at the second site, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Endoplasmic reticulum membrane ; Peripheral membrane protein ; Cytoplasmic side : P18031
• Total number of polymer chains: 1
• Total formula weight: 38043.29

Authors

Liu, G.,Xin, Z.,Liang, H.,Abad-Zapatero, C.,Hajduk, P.,Janowick, D.,Szczepankiewicz, B.,Pei, Z.,Hutchins, C.W.,Ballaron, S.J. (deposition date: 2003-05-29, release date: 2003-07-29, Last modification date: 2023-08-16)

• Primary citation: Liu, G.,Xin, Z.,Liang, H.,Abad-Zapatero, C.,Hajduk, P.J.,Janowick, D.A.,Szczepankiewicz, B.G.,Pei, Z.,Hutchins, C.W.,Ballaron, S.J.,Stashko, M.A.,Lubben, T.H.,Berg, C.E.,Rondinone, C.M.,Trevillyan, J.M.,Jirousek, M.R.; Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands.; J.Med.Chem., 46:3437-3440, 2003; PubMed: 12877578; DOI: 10.1021/jm034088d

Experimental method

X-RAY DIFFRACTION (2.2 Å)