PDBsum entry 4jia

Transferase/transferase inhibitor

PDB id: 4jia

Contents

Protein chain

300 a.a.

Ligands

1K3

GOL

Waters ×164

PDB id:

4jia

Name:

Transferase/transferase inhibitor

Title:

Jak2 kinase (jh1 domain) in complex with compound 9

Structure:

Tyrosine-protein kinase jak2. Chain: a. Fragment: jh1 domain, unp residues 833-1132. Synonym: janus kinase 2, jak-2. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: jak2. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108

Resolution:

1.85Å R-factor: 0.172 R-free: 0.202

Authors:

C.Eigenbrot,M.Ultsch

Key ref:

M.Siu et al. (2013). 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors. Bioorg Med Chem Lett, 23, 5014-5021. PubMed id: 23870430 DOI: 10.1016/j.bmcl.2013.06.008

Date:

05-Mar-13 Release date: 07-Aug-13

Protein chain

O60674  (JAK2_HUMAN) -  Tyrosine-protein kinase JAK2 from Homo sapiens

Seq: 1132 a.a.

Struc: 300 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.10.2 - non-specific protein-tyrosine kinase.
• Reaction: L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

Added reference

DOI no: 10.1016/j.bmcl.2013.06.008

Bioorg Med Chem Lett 23:5014-5021 (2013)

PubMed id: 23870430

2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.

M.Siu, R.Pastor, W.Liu, K.Barrett, M.Berry, W.S.Blair, C.Chang, J.Z.Chen, C.Eigenbrot, N.Ghilardi, P.Gibbons, H.He, C.A.Hurley, J.R.Kenny, S.Cyrus Khojasteh, H.Le, L.Lee, J.P.Lyssikatos, S.Magnuson, R.Pulk, V.Tsui, M.Ultsch, Y.Xiao, B.Y.Zhu, D.Sampath.

ABSTRACT

The advancement of a series of ligand efficient 2-amino-[1,2,4]triazolo[1,5-a]pyridines, initially identified from high-throughput screening, to a JAK2 inhibitor with pharmacodynamic activity in a mouse xenograft model is disclosed.