Het-PDB Navi2 (PDB: 1PYN)

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Ligands
Code	Name		Style	Show	Link
941	2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid				PoSSuM

Non-standard Residues
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Download interaction data: 1PYN

Code :

1PYN PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE

Release Data :

2003-09-16

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., Zhonghua, P., Lubben, T., Trevillyan, J.M., Stashko, M., Ballaron, S.J., Liang, H.

Keywords :

PROTEIN TYROSINE PHOSPHATASE INHIBITED WITH DUAL SITE, MALONATE-CONTAINING INHIBITOR, HYDROLASE

Exp. method :

X-RAY DIFFRACTION ( 2.20 Å )

Citation :

Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.

Pei, Z.,Li, X.,Liu, G. et al.
(2003) Bioorg.Med.Chem.Lett. 13 : 3129 - 3132

PubMed: 12951078
DOI: 10.1016/S0960-894X(03)00725-X

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

DOI: 10.1021/ja0296733

Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B

Xin, Z.,Oost, T.K.,Abad-Zapatero, C. et al.
(2003) BIOORG.MED.CHEM.LETT. 13 : 1887 - 1890

DOI: 10.1016/S0960-894X(03)00302-0

Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B

Liu, G.,Szczepankiewicz, B.G.,Pei, Z. et al.
(2003) J.Med.Chem. 46 : 2093 - 2103

DOI: 10.1021/jm0205696

Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands

Liu, G.,Xin, Z.,Liang, H. et al.
To be Published

Chain :

UniProt :

P18031 (PTN1_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
H2O + O-phospho-L-tyrosyl-[protein] = L-tyrosyl-[protein] + phosphate	3.1.3.48	PROSITE- ProRule:PRU10044
	-	PROSITE- ProRule:PRU10044

PDB ID: 1PYN

Hetero Atom Contents

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