Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
989 2-{[4-(2-acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid
Code : 1NL9
Header : HYDROLASE
Title : Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 12 Using a Linked-Fragment Strategy
Release Data : 2003-04-08
Compound :
mol_id molecule chains synonym
1 Protein-tyrosine phosphatase, non-receptor type 1 A Protein-tyrosine phosphatase 1B, PTP-1B
ec: 3.1.3.48
fragment: PTP1B catalytic domain
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21(DE3)  (taxid:469008)
gene: PTPN1 OR PTP1B
expression_system_strain: BL21(De3)
expression_system_vector_type: PLASMID
expression_system_plasmid: pT7-7
Authors : Szczepankiewicz, B.G., Liu, G., Hajduk, P.J., Abad-Zapatero, C., Pei, Z., Xin, Z., Lubben, T., Trevillyan, J.M., Stashko, M.A., Ballaron, S.J., Liang, H., Huang, F., Hutchins, C.W., Fesik, S.W., Jirousek, M.R.
Keywords : Protein Tyrosine Phosphatase fold, Dual-site Oxamic Acid Inhibitor bound to P-loop, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.40 Å )
Citation :

Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy

Szczepankiewicz, B.G.,Liu, G.,Hajduk, P.J.  et al.
(2003)  J.Am.Chem.Soc.  125 : 4087 - 4096

PubMed: 12670229
DOI: 10.1021/ja0296733

Chain : A
UniProt : P18031 (PTN1_HUMAN)
Reaction : Protein tyrosine phosphate + H(2)O = protein tyrosine + phosphate.