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2FLO
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BU of 2flo by Molmil
Crystal structure of exopolyphosphatase (PPX) from E. coli O157:H7
Descriptor: Exopolyphosphatase
Authors:Rangarajan, E.S, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-06
Release date:2006-06-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Exopolyphosphatase (PPX) from Escherichia coli O157:H7 Suggests a Binding Mode for Long Polyphosphate Chains.
J.Mol.Biol., 359, 2006
5AE1
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BU of 5ae1 by Molmil
Ether Lipid-Generating Enzyme AGPS in complex with inhibitor ZINC69435460
Descriptor: (3-(2-FLUOROPHENYL)-N-(1-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)ETHYL)BUTANAMIDE), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ...
Authors:Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A.
Deposit date:2015-08-25
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
2YLR
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BU of 2ylr by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2YLT
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BU of 2ylt by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP and MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2YLX
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BU of 2ylx by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Asp66Ala MUTANT IN COMPLEX WITH NADP AND MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2YM1
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BU of 2ym1 by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT IN COMPLEX WITH NADP
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2YLS
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BU of 2yls by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: REDUCED ENZYME BOUND TO NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2YM2
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BU of 2ym2 by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT REDUCED STATE WITH NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
4UV9
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BU of 4uv9 by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
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 (3 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
4UVB
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BU of 4uvb by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R)
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
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
4UXN
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BU of 4uxn by Molmil
LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, ...
Authors:Rodriguez, V, Valente, S, Stazi, G, Lucidi, A, Mercurio, C, Vianello, P, Ciossani, G, Mattevi, A, Botrugno, O.A, Dessanti, P, Minucci, S, Varasi, M, Mai, A.
Deposit date:2014-08-27
Release date:2015-02-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Pyrrole- and Indole-Containing Tranylcypromine Derivatives as Novel Lysine-Specific Demethylase 1 Inhibitors Active on Cancer Cells
Chemmedchem, 6, 2015
4UVC
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BU of 4uvc by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] 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 (3.1 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
4B67
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BU of 4b67 by Molmil
A. fumigatus ornithine hydroxylase (SidA), re-oxidised state bound to NADP and ornithine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-ORNITHINE N5 MONOOXYGENASE, ...
Authors:Franceschini, S, Fedkenheuer, M, Vogelaar, N.J, Robinson, H.H, Sobrado, P, Mattevi, A.
Deposit date:2012-08-09
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Insight Into the Mechanism of Oxygen Activation and Substrate Selectivity of Flavin-Dependent N-Hydroxylating Monooxygenases.
Biochemistry, 51, 2012
4B65
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BU of 4b65 by Molmil
A. fumigatus ornithine hydroxylase (SidA), reduced state bound to NADP(H)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-ORNITHINE N5 MONOOXYGENASE, ...
Authors:Franceschini, S, Fedkenheuer, M, Vogelaar, N.J, Robinson, H.H, Sobrado, P, Mattevi, A.
Deposit date:2012-08-09
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Insight Into the Mechanism of Oxygen Activation and Substrate Selectivity of Flavin-Dependent N-Hydroxylating Monooxygenases.
Biochemistry, 51, 2012
4B66
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BU of 4b66 by Molmil
A. fumigatus ornithine hydroxylase (SidA), reduced state bound to NADP and Arg
Descriptor: ARGININE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Franceschini, S, Fedkenheuer, M, Vogelaar, N.J, Robinson, H.H, Sobrado, P, Mattevi, A.
Deposit date:2012-08-09
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insight Into the Mechanism of Oxygen Activation and Substrate Selectivity of Flavin-Dependent N-Hydroxylating Monooxygenases.
Biochemistry, 51, 2012
4B68
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BU of 4b68 by Molmil
A. fumigatus ornithine hydroxylase (SidA), re-oxidised state bound to NADP and Arg
Descriptor: ARGININE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Franceschini, S, Fedkenheuer, M, Vogelaar, N.J, Robinson, H.H, Sobrado, P, Mattevi, A.
Deposit date:2012-08-09
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Insight Into the Mechanism of Oxygen Activation and Substrate Selectivity of Flavin-Dependent N-Hydroxylating Monooxygenases.
Biochemistry, 51, 2012
4UVA
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BU of 4uva by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S)
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
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 (2.9 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
4B64
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BU of 4b64 by Molmil
A. fumigatus ornithine hydroxylase (SidA) bound to NADP and Lysine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-ORNITHINE N5 MONOOXYGENASE, ...
Authors:Franceschini, S, Fedkenheuer, M, Vogelaar, N.J, Robinson, H.H, Sobrado, P, Mattevi, A.
Deposit date:2012-08-09
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural Insight Into the Mechanism of Oxygen Activation and Substrate Selectivity of Flavin-Dependent N-Hydroxylating Monooxygenases.
Biochemistry, 51, 2012
4UV8
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BU of 4uv8 by Molmil
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
5L3E
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BU of 5l3e by Molmil
LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine, ...
Authors:Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
Deposit date:2016-04-10
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
5L3F
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BU of 5l3f by Molmil
LSD1-CoREST1 in complex with polymyxin B
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ...
Authors:Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
Deposit date:2016-04-10
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
5L3G
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BU of 5l3g by Molmil
LSD1-CoREST1 in complex with polymyxin E (colistin)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
Deposit date:2016-04-10
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
5LBQ
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BU of 5lbq by Molmil
LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine, ...
Authors:Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
Deposit date:2016-06-16
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
4BK1
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BU of 4bk1 by Molmil
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: H213S mutant in complex with 3-hydroxybenzoate
Descriptor: 3-HYDROXYBENZOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H.
Deposit date:2013-04-21
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation
J.Biol.Chem., 288, 2013
4BCA
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BU of 4bca by Molmil
MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Tyr578Phe mutant
Descriptor: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, CHLORIDE ION, ...
Authors:Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A.
Deposit date:2012-10-01
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Proc.Natl.Acad.Sci.USA, 109, 2012

223790

数据于2024-08-14公开中

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