7ET7

Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028

Summary for 7ET7

• Entry DOI: 10.2210/pdb7et7/pdb
• Descriptor: Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, ... (4 entities in total)
• Functional Keywords: nnmt, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 127233.48

Authors

Swaminathan, S.,Gosu, R.,Birudukota, S.,Kandan, S.,Vaithilingam, K. (deposition date: 2021-05-12, release date: 2022-05-18, Last modification date: 2023-11-29)

• Primary citation: Ruf, S.,Rajagopal, S.,Kadnur, S.V.,Hallur, M.S.,Rani, S.,Kristam, R.,Swaminathan, S.,Zope, B.R.,Gondrala, P.K.,Swamy, I.,Putta, V.P.R.K.,Kandan, S.,Zech, G.,Schreuder, H.,Rudolph, C.,Elvert, R.,Czech, J.,Birudukota, S.,Siddiqui, M.A.,Anand, N.N.,Mane, V.S.,Dittakavi, S.,Suresh, J.,Gosu, R.,Ramesh, M.,Yura, T.,Dhakshinamoorthy, S.,Kannt, A.; Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.; Sci Rep, 12:15440-15440, 2022; PubMed: 36104373; DOI: 10.1038/s41598-022-19634-2

Experimental method

X-RAY DIFFRACTION (2.61 Å)