3KAB

Structure-guided design of alpha-amino acid-derived Pin1 inhibitors

Summary for 3KAB

Entry DOI	10.2210/pdb3kab/pdb
Related	3KAC 3KAD 3KAF 3KAG 3KAH 3KAI
Descriptor	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, DODECAETHYLENE GLYCOL, SULFATE ION, ... (5 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	19342.42
Authors	Baker, L.M.,Dokurno, P.,Robinson, D.A.,Surgenor, A.E.,Murray, J.B.,Potter, A.J.,Moore, J.D. (deposition date: 2009-10-19, release date: 2009-12-22, Last modification date: 2023-11-01)
Primary citation	Potter, A.J.,Ray, S.,Gueritz, L.,Nunns, C.L.,Bryant, C.J.,Scrace, S.F.,Matassova, N.,Baker, L.M.,Dokurno, P.,Robinson, D.A.,Surgenor, A.E.,Davis, B.,Murray, J.B.,Richardson, C.M.,Moore, J.D. Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20:586-590, 2010 Cited by PubMed: 19969456 DOI: 10.1016/j.bmcl.2009.11.090 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.19 Å)

Structure validation