8JPW
| Crystal Structure of Single-chain L-Glutamate Oxidase Mutant from Streptomyces sp. X-119-6 | Descriptor: | 2-OXOGLUTARIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, L-glutamate oxidase, ... | Authors: | Yamaguchi, H, Takahashi, K, Tatsumi, M, Tagami, U, Mizukoshi, T, Miyano, H, Sugiki, M. | Deposit date: | 2023-06-13 | Release date: | 2023-08-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Development of a novel single-chain l-glutamate oxidase from Streptomyces sp. X-119-6 by inserting flexible linkers Enzyme.Microb.Technol., 170, 2023
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8INL
| LSD1 in complex with S2172 | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2023-03-10 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | LSD1 in complex with S2172 To Be Published
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8DSV
| The structure of NicA2 in complex with N-methylmyosmine | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ... | Authors: | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | Deposit date: | 2022-07-22 | Release date: | 2023-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme. Nat.Chem.Biol., 19, 2023
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8DQ8
| The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S in complex with N-methylmyosmine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, Amine oxidase, ... | Authors: | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | Deposit date: | 2022-07-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme. Nat.Chem.Biol., 19, 2023
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8DQ7
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7ZW3
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7ZRY
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7XW8
| Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct | Descriptor: | GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ... | Authors: | Oki, H. | Deposit date: | 2022-05-26 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects. Eur.J.Med.Chem., 239, 2022
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7XE3
| Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024) | Descriptor: | 1,2-ETHANEDIOL, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, CITRATE ANION, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2022-03-29 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2 Acs Med.Chem.Lett., 13, 2022
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7XE2
| Crystal structure of LSD2 in complex with trans-4-Br-PCPA | Descriptor: | 3-(4-bromophenyl)propanal, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2022-03-29 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2 Acs Med.Chem.Lett., 13, 2022
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7XE1
| Crystal structure of LSD2 in complex with cis-4-Br-PCPA | Descriptor: | 3-(4-bromophenyl)propanal, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2022-03-29 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2 Acs Med.Chem.Lett., 13, 2022
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7W3L
| Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024) | Descriptor: | 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2021-11-25 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2 Acs Med.Chem.Lett., 13, 2022
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7VQU
| Crystal structure of LSD1 in complex with compound S1427 | Descriptor: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | Deposit date: | 2021-10-20 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. Acs Med.Chem.Lett., 13, 2022
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7VQT
| Crystal structure of LSD1 in complex with compound 5 | Descriptor: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | Deposit date: | 2021-10-20 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. Acs Med.Chem.Lett., 13, 2022
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7VQS
| Crystal structure of LSD1 in complex with compound 4 | Descriptor: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | Deposit date: | 2021-10-20 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. Acs Med.Chem.Lett., 13, 2022
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7U6L
| Pseudooxynicotine amine oxidase | Descriptor: | Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Choudhary, V, Stull, F, Wu, K. | Deposit date: | 2022-03-04 | Release date: | 2022-07-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase. J.Biol.Chem., 298, 2022
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7RT0
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7P4H
| Crystal Structure of Monoamine Oxidase B in complex with inhibitor (+)-2 | Descriptor: | 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Binda, C, Pisani, L. | Deposit date: | 2021-07-11 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dual Reversible Coumarin Inhibitors Mutually Bound to Monoamine Oxidase B and Acetylcholinesterase Crystal Structures. Acs Med.Chem.Lett., 13, 2022
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7P4F
| Crystal Structure of Monoamine Oxidase B in complex with inhibitor 1 | Descriptor: | 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Binda, C, Pisani, L. | Deposit date: | 2021-07-11 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dual Reversible Coumarin Inhibitors Mutually Bound to Monoamine Oxidase B and Acetylcholinesterase Crystal Structures. Acs Med.Chem.Lett., 13, 2022
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7OY0
| Structure of human Spermine Oxidase in complex with a highly selective allosteric inhibitor | Descriptor: | 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol, CHLORIDE ION, FAD-MDL72527 adduct, ... | Authors: | Impagliazzo, A, Thomsen, M, Johannsson, S, Krapp, S. | Deposit date: | 2021-06-23 | Release date: | 2022-07-13 | Last modified: | 2022-08-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor. Commun Biol, 5, 2022
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7OXL
| Crystal structure of human Spermine Oxidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FAD-MDL72527 adduct, ... | Authors: | Impagliazzo, A, Johannsson, S, Thomsen, M, Krapp, S. | Deposit date: | 2021-06-22 | Release date: | 2022-07-13 | Last modified: | 2022-08-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor. Commun Biol, 5, 2022
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7OG2
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7KHO
| NicA2 variant N462V in complex with (S)-nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Tararina, M.A, Allen, K.N. | Deposit date: | 2020-10-21 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2. Biochemistry, 60, 2021
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7KHN
| NicA2 variant N462Y/W427Y in complex with (S)-nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Tararina, M.A, Allen, K.N. | Deposit date: | 2020-10-21 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2. Biochemistry, 60, 2021
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7EME
| Putative Leptospira interrogans recombinant L-amino acid oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)/FAD-dependent oxidoreductase | Authors: | Vaigundan, D, Yuvaraj, I, Krishnaswamy, P.R, Sekar, K, Murthy, M.R.N, Sunita, P. | Deposit date: | 2021-04-13 | Release date: | 2021-08-18 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural characterization of a putative recombinant L-amino acid oxidase from Leptospira interrogans Curr.Sci., 123, 2022
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