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8UL8
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BU of 8ul8 by Molmil
LSD1-CoREST in complex with T15, short soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, methyl 3-{(1R,3S,3aS,13R)-8-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,4,5,6,8-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-3-yl}benzoate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-10-16
Release date:2025-02-05
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published
8UL6
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BU of 8ul6 by Molmil
LSD1-CoREST in complex with T16, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-[3-(methylcarbamoyl)phenyl]-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-10-16
Release date:2025-02-05
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published
8UNI
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BU of 8uni by Molmil
LSD1-CoREST with N-formyl-FAD in complex with H3K4M histone tail
Descriptor: Histone H3 (Fragment), Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-10-19
Release date:2025-02-05
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published
8UOM
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BU of 8uom by Molmil
LSD1-CoREST with N-formyl-FAD in complex with H3dimeK4 histone tail
Descriptor: Histone H3 (Fragment), Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-10-20
Release date:2025-02-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published
8ULB
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BU of 8ulb by Molmil
LSD1-CoREST in complex with T17, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-[3-(dimethylcarbamoyl)phenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-10-16
Release date:2025-02-05
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published
8UMQ
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BU of 8umq by Molmil
LSD1-CoREST in complex with T18, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-(3-benzamidophenyl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-10-18
Release date:2025-02-05
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published
8CAP
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BU of 8cap by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CB28
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative ferric reductase, [4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAL
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BU of 8cal by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M34
Descriptor: 3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAO
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BU of 8cao by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CA24
Descriptor: 1,2-ETHANEDIOL, 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione, DI(HYDROXYETHYL)ETHER, ...
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CB0
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BU of 8cb0 by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 and NADP+
Descriptor: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAK
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BU of 8cak by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41
Descriptor: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, DIMETHYL SULFOXIDE, ...
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
7AL4
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BU of 7al4 by Molmil
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
2VFS
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BU of 2vfs by Molmil
Alditol Oxidase from Streptomyces coelicolor A3(2): Complex with Xylitol
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, XYLITOL OXIDASE, ...
Authors:Forneris, F, Mattevi, A.
Deposit date:2007-11-05
Release date:2008-01-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Analysis of the Catalytic Mechanism and Stereoselectivity in Streptomyces Coelicolor Alditol Oxidase.
Biochemistry, 47, 2008
2VFU
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BU of 2vfu by Molmil
Alditol Oxidase from Streptomyces coelicolor A3(2): Complex with Mannitol
Descriptor: D-MANNITOL, FLAVIN-ADENINE DINUCLEOTIDE, XYLITOL OXIDASE
Authors:Forneris, F, Mattevi, A.
Deposit date:2007-11-05
Release date:2008-01-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of the Catalytic Mechanism and Stereoselectivity in Streptomyces Coelicolor Alditol Oxidase.
Biochemistry, 47, 2008
2V6J
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BU of 2v6j by Molmil
Kokobera Virus Helicase: Mutant Met47Thr
Descriptor: RNA HELICASE
Authors:Speroni, S, De Colibus, L, Coutard, B, Canard, B, Mattevi, A.
Deposit date:2007-07-18
Release date:2008-03-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Biochemical Analysis of Kokobera Virus Helicase
Proteins: Struct., Funct., Bioinf., 70, 2008
7O1R
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BU of 7o1r by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with imidazole
Descriptor: 1,4-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7O1X
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BU of 7o1x by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with 1-phenylimidazole
Descriptor: 1-phenyl-1H-imidazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7O2G
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BU of 7o2g by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with styrene
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7O1Z
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BU of 7o1z by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with S-1,2-propanediol
Descriptor: 1-BUTANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7O2D
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BU of 7o2d by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with 2-(N-morpholino) ethanesulfonic acid (MES)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
6HQG
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BU of 6hqg by Molmil
Cytochrome P450-153 from Phenylobacterium zucineum
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fiorentini, F, Mattevi, A.
Deposit date:2018-09-25
Release date:2018-12-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
6HQD
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BU of 6hqd by Molmil
Cytochrome P450-153 from Pseudomonas sp. 19-rlim
Descriptor: Cytochrome P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fiorentini, F, Mattevi, A.
Deposit date:2018-09-24
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
6HQW
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BU of 6hqw by Molmil
Cytochrome P450-153 from Novosphingobium aromaticivorans
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fiorentini, F, Mattevi, A.
Deposit date:2018-09-25
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
2VGG
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BU of 2vgg by Molmil
HUMAN ERYTHROCYTE PYRUVATE KINASE: R479H MUTANT
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ...
Authors:Valentini, G, Chiarelli, L.R, Fortin, R, Dolzan, M, Galizzi, A, Abraham, D.J, Wang, C, Bianchi, P, Zanella, A, Mattevi, A.
Deposit date:2007-11-13
Release date:2007-11-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structure and Function of Human Erythrocyte Pyruvate Kinase. Molecular Basis of Nonspherocytic Hemolytic Anemia.
J.Biol.Chem., 277, 2002
2VGF
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BU of 2vgf by Molmil
HUMAN ERYTHROCYTE PYRUVATE KINASE: T384M mutant
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ...
Authors:Valentini, G, Chiarelli, L.R, Fortin, R, Dolzan, M, Galizzi, A, Abraham, D.J, Wang, C, Bianchi, P, Zanella, A, Mattevi, A.
Deposit date:2007-11-12
Release date:2007-11-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure and Function of Human Erythrocyte Pyruvate Kinase. Molecular Basis of Nonspherocytic Hemolytic Anemia.
J.Biol.Chem., 277, 2002

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