6W2J
CPS1 bound to allosteric inhibitor H3B-374
Summary for 6W2J
Entry DOI | 10.2210/pdb6w2j/pdb |
Descriptor | Carbamoyl-phosphate synthase [ammonia], mitochondrial, (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, ZINC ION, ... (5 entities in total) |
Functional Keywords | inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 331286.82 |
Authors | Larsen, N.A.,Nguyen, T.V. (deposition date: 2020-03-05, release date: 2021-01-13, Last modification date: 2023-10-18) |
Primary citation | Rolfe, A.,Yao, S.,Nguyen, T.V.,Omoto, K.,Colombo, F.,Virrankoski, M.,Vaillancourt, F.H.,Yu, L.,Cook, A.,Reynolds, D.,Ioannidis, S.,Zhu, P.,Larsen, N.A.,Bolduc, D.M. Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1. Acs Med.Chem.Lett., 11:1305-1309, 2020 Cited by PubMed: 32551016DOI: 10.1021/acsmedchemlett.0c00145 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.62 Å) |
Structure validation
Download full validation report