6HK7
Crystal structure of GSK-3B in complex with pyrazine inhibitor C50
Summary for 6HK7
| Entry DOI | 10.2210/pdb6hk7/pdb |
| Descriptor | Glycogen synthase kinase-3 beta, GLYCEROL, DIMETHYL SULFOXIDE, ... (5 entities in total) |
| Functional Keywords | gsk 3b, complex, pyrazine, inhibitor, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 40130.08 |
| Authors | Piretti, V.,Giabbai, B.,Demitri, N.,Di Martino, R.,Tripathi, S.K.,Gobbo, D.,Decherchi, S.,Storici, P.,Girotto, S.,Cavalli, A. (deposition date: 2018-09-05, release date: 2019-07-17, Last modification date: 2024-01-17) |
| Primary citation | Gobbo, D.,Piretti, V.,Di Martino, R.M.C.,Tripathi, S.K.,Giabbai, B.,Storici, P.,Demitri, N.,Girotto, S.,Decherchi, S.,Cavalli, A. Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15:4646-4659, 2019 Cited by PubMed: 31246463DOI: 10.1021/acs.jctc.9b00104 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (3.2 Å) |
Structure validation
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