3KAF
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Summary for 3KAF
Entry DOI | 10.2210/pdb3kaf/pdb |
Related | 3KAB 3KAC 3KAD 3KAG 3KAH 3KAI |
Descriptor | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine (3 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 | 18832.88 |
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: 19969456DOI: 10.1016/j.bmcl.2009.11.090 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
Download full validation report