8BSL
Human GLS in complex with compound 12
Summary for 8BSL
Entry DOI | 10.2210/pdb8bsl/pdb |
Descriptor | Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide (3 entities in total) |
Functional Keywords | hydrolase, glutaminase, thiadiazole, pyridazine, inhibitor |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 4 |
Total formula weight | 213716.46 |
Authors | Debreczeni, J.E. (deposition date: 2022-11-25, release date: 2023-01-18, Last modification date: 2024-06-19) |
Primary citation | Finlay, M.R.V.,Anderton, M.,Bailey, A.,Boyd, S.,Brookfield, J.,Cairnduff, C.,Charles, M.,Cheasty, A.,Critchlow, S.E.,Culshaw, J.,Ekwuru, T.,Hollingsworth, I.,Jones, N.,Leroux, F.,Littleson, M.,McCarron, H.,McKelvie, J.,Mooney, L.,Nissink, J.W.M.,Perkins, D.,Powell, S.,Quesada, M.J.,Raubo, P.,Sabin, V.,Smith, J.,Smith, P.D.,Stark, A.,Ting, A.,Wang, P.,Wilson, Z.,Winter-Holt, J.J.,Wood, J.M.,Wrigley, G.L.,Yu, G.,Zhang, P. Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62:6540-6560, 2019 Cited by PubMed: 31199640DOI: 10.1021/acs.jmedchem.9b00260 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.38 Å) |
Structure validation
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