6NPV
C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide
Summary for 6NPV
Entry DOI | 10.2210/pdb6npv/pdb |
Descriptor | Tyrosine-protein kinase ABL1, SULFATE ION, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ... (7 entities in total) |
Functional Keywords | activator, kinase, allosteric, signaling protein, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 72049.68 |
Authors | campobasso, N. (deposition date: 2019-01-18, release date: 2019-03-13, Last modification date: 2024-03-13) |
Primary citation | Simpson, G.L.,Bertrand, S.M.,Borthwick, J.A.,Campobasso, N.,Chabanet, J.,Chen, S.,Coggins, J.,Cottom, J.,Christensen, S.B.,Dawson, H.C.,Evans, H.L.,Hobbs, A.N.,Hong, X.,Mangatt, B.,Munoz-Muriedas, J.,Oliff, A.,Qin, D.,Scott-Stevens, P.,Ward, P.,Washio, Y.,Yang, J.,Young, R.J. Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies. J. Med. Chem., 62:2154-2171, 2019 Cited by PubMed: 30689376DOI: 10.1021/acs.jmedchem.8b01872 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.86 Å) |
Structure validation
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