7XGI
 
 | | COMT SAH Mg opicapone complex | | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, Opicapone, ... | | Authors: | Takebe, K, Kuwada-Kusunose, T, Suzuki, M, Iijima, H. | | Deposit date: | 2022-04-04 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O -Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses.
J.Chem.Inf.Model., 63, 2023
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7XJB
 | | Rat-COMT, opicapone,SAM and Mg bond | | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | | Authors: | Takebe, K, Iijima, H, Suzuki, M, Kuwada-Kusunose, T. | | Deposit date: | 2022-04-15 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O -Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses.
J.Chem.Inf.Model., 63, 2023
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6LFE
 | | Rat-COMT, Nitecapone,SAM and Mg bond | | Descriptor: | 3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione, Catechol O-methyltransferase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Takebe, K, Iijima, H, Suzuki, M. | | Deposit date: | 2019-12-02 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Catechol O-Methyltransferase Complexed with Nitecapone.
Chem Pharm Bull (Tokyo), 68, 2020
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