7PIE
Protein kinase A catalytic subunit in complex with PKI5-24 and EN068
Summary for 7PIE
Entry DOI | 10.2210/pdb7pie/pdb |
Descriptor | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile, ... (5 entities in total) |
Functional Keywords | protein kinase, ligand complex, transferase |
Biological source | Cricetulus griseus (Chinese hamster) More |
Total number of polymer chains | 2 |
Total formula weight | 43817.67 |
Authors | Glinca, S.,Mueller, J.M.,Ruf, M.,Merkl, S. (deposition date: 2021-08-19, release date: 2022-09-21, Last modification date: 2024-02-07) |
Primary citation | Muller, J.,Klein, R.,Tarkhanova, O.,Gryniukova, A.,Borysko, P.,Merkl, S.,Ruf, M.,Neumann, A.,Gastreich, M.,Moroz, Y.S.,Klebe, G.,Glinca, S. Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65:15663-15678, 2022 Cited by PubMed: 36069712DOI: 10.1021/acs.jmedchem.2c00813 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.427 Å) |
Structure validation
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