7LVH

CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE

Summary for 7LVH

• Entry DOI: 10.2210/pdb7lvh/pdb
• Descriptor: AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, SULFATE ION, ... (5 entities in total)
• Functional Keywords: kinase, aak1, ligand, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Mus musculus (Mouse)
• Total number of polymer chains: 2
• Total formula weight: 72900.51

Authors

Muckelbauer, J.K. (deposition date: 2021-02-25, release date: 2021-07-28, Last modification date: 2024-04-03)

• Primary citation: Hartz, R.A.,Ahuja, V.T.,Nara, S.J.,Kumar, C.M.V.,Brown, J.M.,Bristow, L.J.,Rajamani, R.,Muckelbauer, J.K.,Camac, D.,Kiefer, S.E.,Hunihan, L.,Gulianello, M.,Lewis, M.,Easton, A.,Lippy, J.S.,Surti, N.,Pattipati, S.N.,Dokania, M.,Elavazhagan, S.,Dandapani, K.,Hamman, B.D.,Allen, J.,Kostich, W.,Bronson, J.J.,Macor, J.E.,Dzierba, C.D.; Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.; J.Med.Chem., 64:11090-11128, 2021; PubMed: 34270254; DOI: 10.1021/acs.jmedchem.1c00472

Experimental method

X-RAY DIFFRACTION (2.65 Å)