8FKO
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
Summary for 8FKO
Entry DOI | 10.2210/pdb8fko/pdb |
Descriptor | Mitogen-activated protein kinase kinase kinase kinase 1, (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile (3 entities in total) |
Functional Keywords | inhibitor, hematopoietic, kinase, transferase-inhibitor complex, transferase/inhibitor |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 6 |
Total formula weight | 224684.17 |
Authors | McTigue, M.,Johnson, E.,Cronin, C. (deposition date: 2022-12-21, release date: 2023-04-05, Last modification date: 2023-10-25) |
Primary citation | Gallego, R.A.,Bernier, L.,Chen, H.,Cho-Schultz, S.,Chung, L.,Collins, M.,Del Bel, M.,Elleraas, J.,Costa Jones, C.,Cronin, C.N.,Edwards, M.,Fang, X.,Fisher, T.,He, M.,Hoffman, J.,Huo, R.,Jalaie, M.,Johnson, E.,Johnson, T.W.,Kania, R.S.,Kraus, M.,Lafontaine, J.,Le, P.,Liu, T.,Maestre, M.,Matthews, J.,McTigue, M.,Miller, N.,Mu, Q.,Qin, X.,Ren, S.,Richardson, P.,Rohner, A.,Sach, N.,Shao, L.,Smith, G.,Su, R.,Sun, B.,Timofeevski, S.,Tran, P.,Wang, S.,Wang, W.,Zhou, R.,Zhu, J.,Nair, S.K. Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66:4888-4909, 2023 Cited by PubMed: 36940470DOI: 10.1021/acs.jmedchem.2c02038 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.104 Å) |
Structure validation
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