PDBsum entry 2p33

Transferase

PDB id

2p33

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Contents

			Protein chain

					332 a.a. *

			Ligands

					J07

			Waters ×44

* Residue conservation analysis

PDB id:

2p33

Links

Name:

Transferase

Title:

Synthesis and sar of aminopyrimidines as novel c-jun n-terminal kinase (jnk) inhibitors

Structure:

C-jun n-terminal kinase 3. Chain: a. Fragment: protein kinase domain, residues 40-402. Synonym: mitogen-activated protein kinase 10, stress-activated protein kinase jnk3, map kinase p49 3f12. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: mapk10, jnk3, jnk3a, prkm10. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

2.40Å

R-factor:

0.253

R-free:

0.304

Authors:

T.A.Ceska,A.Platt,M.Fortunato,K.M.Dickson,A.Sharpe

Key ref:

M.Alam et al. (2007). Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors. Bioorg Med Chem Lett, 17, 3463-3467. PubMed id: 17459703 DOI: 10.1016/j.bmcl.2007.03.078

Date:

08-Mar-07

Release date:

19-Jun-07

PROCHECK

	Headers

	References

Protein chain

P53779 (MK10_HUMAN) - Mitogen-activated protein kinase 10 from Homo sapiens

Seq: Struc:					464 a.a. 332 a.a.

Key:

PfamA domain

Secondary structure

CATH domain



		Enzyme reactions

Enzyme class:

E.C.2.7.11.24 - mitogen-activated protein kinase.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

Reaction:

1.	L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H⁺
2.	L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H⁺

L-seryl-[protein]	+	ATP	=	O-phospho-L-seryl-[protein]	+	ADP	+	H(+)

L-threonyl-[protein]	+	ATP	=	O-phospho-L-threonyl-[protein]	+	ADP	+	H(+)

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

reference

DOI no: 10.1016/j.bmcl.2007.03.078	Bioorg Med Chem Lett 17:3463-3467 (2007)
PubMed id: 17459703

Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors.
M.Alam, R.E.Beevers, T.Ceska, R.J.Davenport, K.M.Dickson, M.Fortunato, L.Gowers, A.F.Haughan, L.A.James, M.W.Jones, N.Kinsella, C.Lowe, J.W.Meissner, A.L.Nicolas, B.G.Perry, D.J.Phillips, W.R.Pitt, A.Platt, A.J.Ratcliffe, A.Sharpe, L.J.Tait.

ABSTRACT

The development of a series of novel aminopyrimidines as inhibitors of c-Jun N-terminal kinases is described. The synthesis, in vitro inhibitory values for JNK1, JNK2 and CDK2, and the in vitro inhibitory value for a c-Jun cellular assay are discussed.

Literature references that cite this PDB file's key reference

PubMed id

Reference

21185177

R.Noël, Y.Shin, X.Song, Y.He, M.Koenig, W.Chen, Y.Y.Ling, L.Lin, C.H.Ruiz, P.LoGrasso, M.D.Cameron, D.R.Duckett, and T.M.Kamenecka (2011).
Synthesis and SAR of 4-(pyrazol-3-yl)-pyridines as novel c-jun N-terminal kinase inhibitors.

Bioorg Med Chem Lett, 21, 2732-2735.

19947601

T.Kamenecka, R.Jiang, X.Song, D.Duckett, W.Chen, Y.Y.Ling, J.Habel, J.D.Laughlin, J.Chambers, M.Figuera-Losada, M.D.Cameron, L.Lin, C.H.Ruiz, and P.V.LoGrasso (2010).
Synthesis, biological evaluation, X-ray structure, and pharmacokinetics of aminopyrimidine c-jun-N-terminal kinase (JNK) inhibitors.

J Med Chem, 53, 419-431.

PDB code:

3kvx

20033049

W.Zhou, D.Ercan, L.Chen, C.H.Yun, D.Li, M.Capelletti, A.B.Cortot, L.Chirieac, R.E.Iacob, R.Padera, J.R.Engen, K.K.Wong, M.J.Eck, N.S.Gray, and P.A.Jänne (2009).
Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.

Nature, 462, 1070-1074.

PDB code:

3ika

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. Where a reference describes a PDB structure, the PDB code is shown on the right.