5K0B
Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(1-phenylethyl)-1H-pyrazol-5-yl]-1,3-thiazole
Summary for 5K0B
Entry DOI | 10.2210/pdb5k0b/pdb |
Descriptor | Catechol O-methyltransferase, 2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole, PHOSPHATE ION, ... (8 entities in total) |
Functional Keywords | methyltransferase, neurotransmitter degradation, catechol, transferase |
Biological source | Rattus norvegicus (Norway Rat) |
Total number of polymer chains | 8 |
Total formula weight | 200657.52 |
Authors | Ehler, A.,Rodriguez-Sarmiento, R.M.,Rudolph, M.G. (deposition date: 2016-05-17, release date: 2016-09-07, Last modification date: 2024-05-08) |
Primary citation | Lerner, C.,Jakob-Roetne, R.,Buettelmann, B.,Ehler, A.,Rudolph, M.,Rodriguez Sarmiento, R.M. Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59:10163-10175, 2016 Cited by PubMed: 27685665DOI: 10.1021/acs.jmedchem.6b00927 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.36 Å) |
Structure validation
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