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PDBsum entry 4e4l
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protein ligands Protein-protein interface(s) links
Transferase/transferase inhibitor PDB id
4e4l

 

 

 

 

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Contents
Protein chain
279 a.a.
Ligands
0NH ×4
Waters ×552
PDB id:
4e4l
Name: Transferase/transferase inhibitor
Title: Jak1 kinase (jh1 domain) in complex with compound 30
Structure: Tyrosine-protein kinase jak1. Chain: a, b, e, d. Fragment: protein kinase domain jh1, unp residues 854-1154. Synonym: janus kinase 1, jak-1. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: jak1, jak1a, jak1b. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
Resolution:
2.00Å     R-factor:   0.191     R-free:   0.228
Authors: C.Eigenbrot
Key ref: J.J.Kulagowski et al. (2012). Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors. J Med Chem, 55, 5901-5921. PubMed id: 22591402
Date:
13-Mar-12     Release date:   30-May-12    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P23458  (JAK1_HUMAN) -  Tyrosine-protein kinase JAK1 from Homo sapiens
Seq:
Struc: 		 
Seq:
Struc: 		 
Seq:
Struc: 		1154 a.a.
279 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.2.7.10.2  - non-specific protein-tyrosine kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H+
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    
 
 
J Med Chem 55:5901-5921 (2012)
PubMed id: 22591402  
 
 
Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors.
J.J.Kulagowski, W.Blair, R.J.Bull, C.Chang, G.Deshmukh, H.J.Dyke, C.Eigenbrot, N.Ghilardi, P.Gibbons, T.K.Harrison, P.R.Hewitt, M.Liimatta, C.A.Hurley, A.Johnson, T.Johnson, J.R.Kenny, P.Bir Kohli, R.J.Maxey, R.Mendonca, K.Mortara, J.Murray, R.Narukulla, S.Shia, M.Steffek, S.Ubhayakar, M.Ultsch, A.van Abbema, S.I.Ward, B.Waszkowycz, M.Zak.
 
  ABSTRACT  
 
No abstract given.

 

Literature references that cite this PDB file's key reference

  PubMed id Reference
23125814 E.Pfaffenrot, D.Schollmeyer, and S.Laufer (2012).
1-[(3RS,4RS)-1-Benzyl-4-methyl-piperi-din-3-yl]-1,6-dihydro-imidazo[4,5-d]pyrrolo-[2,3-b]pyridine hemihydrate.
  Acta Crystallogr Sect E Struct Rep Online, 68, o3052.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.

 

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