3ODK

Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution

Summary for 3ODK

Entry DOI	10.2210/pdb3odk/pdb
Related	3KAB 3KAC 3KAD 3KAF 3KAG 3KAH 3KAI 3KCE
Descriptor	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid, ... (4 entities in total)
Functional Keywords	sbdd, ppiase, isomerase, rotamase, small molecule, proline directed kinase, cell cycle, oncogenic transformation, nucleus, phosphoprotein
Biological source	Homo sapiens (human)
Cellular location	Nucleus: Q13526
Total number of polymer chains	1
Total formula weight	19068.13
Authors	Potter, A.,Oldfield, V.,Nunns, C.,Fromont, C.,Ray, S.,Northfield, C.J.,Bryant, C.J.,Scrace, S.F.,Robinson, D.,Matossova, N.,Baker, L.,Dokurno, P.,Surgenor, A.E.,Davis, B.E.,Richardson, C.M.,Murray, J.B.,Moore, J.D. (deposition date: 2010-08-11, release date: 2010-10-27, Last modification date: 2024-02-21)
Primary citation	Potter, A.,Oldfield, V.,Nunns, C.,Fromont, C.,Ray, S.,Northfield, C.J.,Bryant, C.J.,Scrace, S.F.,Robinson, D.,Matossova, N.,Baker, L.,Dokurno, P.,Surgenor, A.E.,Davis, B.,Richardson, C.M.,Murray, J.B.,Moore, J.D. Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution. Bioorg.Med.Chem.Lett., 20:6483-6488, 2010 Cited by PubMed: 20932746 DOI: 10.1016/j.bmcl.2010.09.063 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation