4UV8
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![BU of 4uv8 by Molmil](/molmil-images/mine/4uv8) | LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | Deposit date: | 2014-08-05 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A. Eur.J.Med.Chem., 86C, 2014
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6TQ8
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6TQ5
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![BU of 6tq5 by Molmil](/molmil-images/mine/6tq5) | Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA): complex with NADP+ | Descriptor: | Enzyme subunit, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Rovida, S, Aalbers, F.S, Fraaije, M.W, Mattevi, A. | Deposit date: | 2019-12-16 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering. Elife, 9, 2020
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6ZLK
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![BU of 6zlk by Molmil](/molmil-images/mine/6zlk) | Equilibrium Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Glucuronic acid/UDP-Galacturonic acid and NAD | Descriptor: | (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Mattevi, A. | Deposit date: | 2020-06-30 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction. J.Biol.Chem., 295, 2020
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7AL4
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![BU of 7al4 by Molmil](/molmil-images/mine/7al4) | Ancestral Flavin-containing monooxygenase (FMO) 1 (mammalian) | Descriptor: | Ancestral Flavin-containing monooxygenase 1 (mammalian), CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Nicoll, C.R, Mattevi, A. | Deposit date: | 2020-10-05 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties. J.Biol.Chem., 296, 2020
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2C7G
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![BU of 2c7g by Molmil](/molmil-images/mine/2c7g) | FprA from Mycobacterium tuberculosis: His57Gln mutant | Descriptor: | 4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH-FERREDOXIN REDUCTASE FPRA, ... | Authors: | Pennati, A, Razeto, A, De Rosa, M, Pandini, V, Vanoni, M.A, Aliverti, A, Mattevi, A, Coda, A, Zanetti, G. | Deposit date: | 2005-11-24 | Release date: | 2006-07-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of the His57-Glu214 Ionic Couple Located in the Active Site of Mycobacterium Tuberculosis Fpra. Biochemistry, 45, 2006
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1A70
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![BU of 1a70 by Molmil](/molmil-images/mine/1a70) | SPINACH FERREDOXIN | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN | Authors: | Binda, C, Coda, A, Mattevi, A, Aliverti, A, Zanetti, G. | Deposit date: | 1998-03-19 | Release date: | 1998-11-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the mutant E92K of [2Fe-2S] ferredoxin I from Spinacia oleracea at 1.7 A resolution. Acta Crystallogr.,Sect.D, 54, 1998
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8QNR
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![BU of 8qnr by Molmil](/molmil-images/mine/8qnr) | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: G413N variant in complex with L-gulono-1,4-lactone | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-galactono-1,4-lactone dehydrogenase, L-gulono-1,4-lactone | Authors: | Boverio, A, Mattevi, A. | Deposit date: | 2023-09-27 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: G413N variant in complex with L-gulono-1,4-lactone To Be Published
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8QMY
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8QNC
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8QNB
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![BU of 8qnb by Molmil](/molmil-images/mine/8qnb) | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: in complex with L-galactono-1,4-lactone | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-galactono-1,4-lactone, L-galactono-1,4-lactone dehydrogenase | Authors: | Boverio, A, Mattevi, A. | Deposit date: | 2023-09-26 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: in complex with L-galactono-1,4-lactone To Be Published
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7O1X
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7O2G
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7O1R
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7O1Z
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7O2D
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1B5Q
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![BU of 1b5q by Molmil](/molmil-images/mine/1b5q) | A 30 ANGSTROM U-SHAPED CATALYTIC TUNNEL IN THE CRYSTAL STRUCTURE OF POLYAMINE OXIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE, ... | Authors: | Binda, C, Coda, A, Angelini, R, Federico, R, Ascenzi, P, Mattevi, A. | Deposit date: | 1999-01-07 | Release date: | 2000-01-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A 30-angstrom-long U-shaped catalytic tunnel in the crystal structure of polyamine oxidase. Structure Fold.Des., 7, 1999
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8BAM
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![BU of 8bam by Molmil](/molmil-images/mine/8bam) | Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, tenfold mutant active on propanol syringol | Descriptor: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Alvigini, L, Mattevi, A. | Deposit date: | 2022-10-11 | Release date: | 2023-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol. Acs Catalysis, 13, 2023
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8BAP
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![BU of 8bap by Molmil](/molmil-images/mine/8bap) | Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, eightfold mutant active on propanol syringol | Descriptor: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Alvigini, L, Mattevi, A. | Deposit date: | 2022-10-11 | Release date: | 2023-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol. Acs Catalysis, 13, 2023
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2JBR
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2JBS
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2JBT
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8BOX
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![BU of 8box by Molmil](/molmil-images/mine/8box) | LSD1-CoREST in complex with AW4 and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-15 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8BOP
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![BU of 8bop by Molmil](/molmil-images/mine/8bop) | LSD1-CoREST in complex with AW4, long soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-15 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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4UDP
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![BU of 4udp by Molmil](/molmil-images/mine/4udp) | Crystal structure of 5-hydroxymethylfurfural oxidase (HMFO) in the oxidized state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUCOSE-METHANOL-CHOLINE OXIDOREDUCTASE | Authors: | Dijkman, W, Binda, C, Fraaije, M, Mattevi, A. | Deposit date: | 2014-12-11 | Release date: | 2015-03-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Enzyme Tailoring of 5-Hydroxymethylfurfural Oxidase Acs Catalysis, 5, 2015
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