5J1W
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14)
Summary for 5J1W
Entry DOI | 10.2210/pdb5j1w/pdb |
Descriptor | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazolin-2-amine, ... (5 entities in total) |
Functional Keywords | transferase, serine/threonine-protein kinase, tyrosine-protein kinase, nucleus, inhibitor, structural genomics consortium, sgc |
Biological source | Homo sapiens (Human) |
Cellular location | Nucleus: P49759 |
Total number of polymer chains | 3 |
Total formula weight | 120548.16 |
Authors | Chaikuad, A.,Esvan, Y.J.,Zeinyeh, W.,Boibessot, T.,Nauton, L.,Thery, V.,Loaec, N.,Meijer, L.,Giraud, F.,Moreau, P.,Anizon, F.,von Delft, F.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.M.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2016-03-29, release date: 2016-05-04, Last modification date: 2024-05-08) |
Primary citation | Esvan, Y.J.,Zeinyeh, W.,Boibessot, T.,Nauton, L.,Thery, V.,Knapp, S.,Chaikuad, A.,Loaec, N.,Meijer, L.,Anizon, F.,Giraud, F.,Moreau, P. Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118:170-177, 2016 Cited by PubMed: 27128181DOI: 10.1016/j.ejmech.2016.04.004 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.42 Å) |
Structure validation
Download full validation report