5AX3

Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors.

Summary for 5AX3

Entry DOI	10.2210/pdb5ax3/pdb
Descriptor	Mitogen-activated protein kinase 1, allosteric and ATP-competitive inhibitor, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL (3 entities in total)
Functional Keywords	ternary complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human) More
Total number of polymer chains	2
Total formula weight	44115.40
Authors	Kinoshita, T.,Sugiyama, H.,Mori, Y.,Takahashi, N.,Tomonaga, A. (deposition date: 2015-07-14, release date: 2016-02-10, Last modification date: 2023-11-08)
Primary citation	Kinoshita, T.,Sugiyama, H.,Mori, Y.,Takahashi, N.,Tomonaga, A. Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay Bioorg.Med.Chem.Lett., 26:955-958, 2016 Cited by PubMed: 26733474 DOI: 10.1016/j.bmcl.2015.12.056 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.984 Å)

Structure validation