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PDBsum entry 4ehz
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Transferase/transferase inhibitor
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PDB id
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4ehz
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PDB id:
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| Name: |
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Transferase/transferase inhibitor
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Title:
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The jak1 kinase domain in complex with inhibitor
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Structure:
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Tyrosine-protein kinase jak1. Chain: a, b, c, d. Fragment: kinase domain, unp residues 854-1154. Synonym: janus kinase 1, jak-1. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: jak1, jak1a, jak1b. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
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Resolution:
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2.17Å
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R-factor:
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0.174
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R-free:
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0.229
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Authors:
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P.J.Lupardus,M.Steffek
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Key ref:
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M.Zak
et al.
(2012).
Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J Med Chem,
55,
6176-6193.
PubMed id:
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Date:
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04-Apr-12
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Release date:
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04-Jul-12
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PROCHECK
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Headers
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References
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P23458
(JAK1_HUMAN) -
Tyrosine-protein kinase JAK1 from Homo sapiens
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Seq:
Struc:
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1154 a.a.
292 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class:
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E.C.2.7.10.2
- non-specific protein-tyrosine kinase.
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Reaction:
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L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H+
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L-tyrosyl-[protein]
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+
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ATP
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=
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O-phospho-L-tyrosyl-[protein]
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+
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ADP
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+
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H(+)
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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J Med Chem
55:6176-6193
(2012)
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PubMed id:
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Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
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M.Zak,
R.Mendonca,
M.Balazs,
K.Barrett,
P.Bergeron,
W.S.Blair,
C.Chang,
G.Deshmukh,
J.Devoss,
P.S.Dragovich,
C.Eigenbrot,
N.Ghilardi,
P.Gibbons,
S.Gradl,
C.Hamman,
E.J.Hanan,
E.Harstad,
P.R.Hewitt,
C.A.Hurley,
T.Jin,
A.Johnson,
T.Johnson,
J.R.Kenny,
M.F.Koehler,
P.Bir Kohli,
J.J.Kulagowski,
S.Labadie,
J.Liao,
M.Liimatta,
Z.Lin,
P.J.Lupardus,
R.J.Maxey,
J.M.Murray,
R.Pulk,
M.Rodriguez,
S.Savage,
S.Shia,
M.Steffek,
S.Ubhayakar,
M.Ultsch,
A.van Abbema,
S.I.Ward,
L.Xiao,
Y.Xiao.
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ABSTRACT
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Links
