7WMT
Crystal structure of small molecule 13 bound to human Nicotinamide N-methyltransferase
Summary for 7WMT
Entry DOI | 10.2210/pdb7wmt/pdb |
Descriptor | Nicotinamide N-methyltransferase, [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone (3 entities in total) |
Functional Keywords | nicotinamide n-methyltransferase, transferase |
Biological source | Homo sapiens (human) More |
Total number of polymer chains | 1 |
Total formula weight | 28247.85 |
Authors | Yoshida, S.,Uehara, S.,Kondo, N.,Takahashi, Y.,Yamamoto, S.,Kameda, A.,Kawagoe, S.,Inoue, N.,Yamada, M.,Yoshimura, N.,Tachibana, Y. (deposition date: 2022-01-17, release date: 2022-08-31, Last modification date: 2024-05-29) |
Primary citation | Yoshida, S.,Uehara, S.,Kondo, N.,Takahashi, Y.,Yamamoto, S.,Kameda, A.,Kawagoe, S.,Inoue, N.,Yamada, M.,Yoshimura, N.,Tachibana, Y. Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65:10655-10673, 2022 Cited by PubMed: 35904556DOI: 10.1021/acs.jmedchem.2c00919 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.77 Å) |
Structure validation
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