ISDA: 3EJ1

Deposition Date 2008-09-17

Release Date 2008-10-21

Last Version Date 2023-08-30

Entry Detail

PDB ID:

3EJ1

Keywords:

Transferase/Cell cycle

Title:

CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Spodoptera frugiperda, Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

3.22 Å

R-Value Free:

0.25

R-Value Work:

0.21

R-Value Observed:

0.22

Space Group:

P 62 2 2

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Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Cell division protein kinase
Gene (Uniprot):CDK2
Chain IDs:A, C
Chain Length:298
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:P24941 Pfam ID:PF00069 EC:2.7.11.22

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Cyclin-A2
Gene (Uniprot):CCNA2
Chain IDs:B, D
Chain Length:260
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:P20248 Pfam ID:PF00134, PF02984

Ligand Molecules

5BP

Primary Citation

Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.

Stevens, K.L, Reno, M.J, Alberti, J.B, Price, D.J, Kane-Carson, L.S, Knick, V.B, Shewchuk, L.M, Hassell, A.M, Veal, J.M, Davis, S.T, Griffin, R.J, Peel, M.R.Show

Bioorg.Med.Chem.Lett. 18 5758 5762 (2008)

PMID: 18835709 DOI: 10.1016/j.bmcl.2008.09.069

Abstact

A novel series of pyrazolo[1,5-b]pyridazines have been synthesized and identified as cyclin dependant kinase inhibitors potentially useful for the treatment of solid tumors. Modification of the hinge-binding amine or the C(2)- and C(6)-substitutions on the pyrazolopyridazine core provided potent inhibitors of CDK4 and demonstrated enzyme selectivity against VEGFR-2 and GSK3beta.

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Protein

Chemical

Disease

Primary Citation of related structures

Abstact

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