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3SIJ
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BU of 3sij by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase E115A mutant from Thermomonospora curvata
Descriptor: poly(ADP-ribose) glycohydrolase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2011-06-18
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
3SII
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BU of 3sii by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase bound to the inhibitor ADP-HPD from Thermomonospora curvata
Descriptor: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, poly(ADP-ribose) glycohydrolase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2011-06-18
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
3K8D
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BU of 3k8d by Molmil
Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-manno-octulosonate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Heyes, D.J, Levy, C.W, Lafite, P, Scrutton, N.S, Leys, D.
Deposit date:2009-10-14
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based mechanism of CMP-2-keto-3-deoxymanno-octulonic acid synthetase: convergent evolution of a sugar-activating enzyme with DNA/RNA polymerases
J.Biol.Chem., 284, 2009
1KSU
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BU of 1ksu by Molmil
Crystal Structure of His505Tyr Mutant Flavocytochrome c3 from Shewanella frigidimarina
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Pankhurst, K.L, Mowat, C.G, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
Deposit date:2002-01-14
Release date:2002-08-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of His505 in the soluble fumarate reductase from Shewanella frigidimarina.
Biochemistry, 41, 2002
8OEO
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BU of 8oeo by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) V186C-A296C (DB4) variant in complex with prenylated flavin
Descriptor: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Roberts, G.W, Leys, D.
Deposit date:2023-03-10
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Aspergillus niger ferulic acid decarboxylase (Fdc) V186C-A296C (DB4) variant in complex with prenylated flavin
To Be Published
8OED
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BU of 8oed by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) S145C-P289C (DB2) variant in complex with prenylated flavin hydroxylated at the C1 prime position
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Roberts, G.W, Leys, D.
Deposit date:2023-03-10
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Aspergillus niger ferulic acid decarboxylase (Fdc) T40C-S315C (DB1) variant in complex with prenylated flavin hydroxylated at the C1 prime position
To Be Published
8OEH
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BU of 8oeh by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) C122-S261C (DB3) variant in complex with prenylated flavin
Descriptor: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Roberts, G.W, Leys, D.
Deposit date:2023-03-10
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Aspergillus niger ferulic acid decarboxylase (Fdc) C122-S261C (DB3) variant in complex with prenylated flavin
To Be Published
4DQL
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BU of 4dql by Molmil
Crystal structure of the FAD binding domain of cytochrome P450 BM3 in complex with NADP+
Descriptor: Bifunctional P-450/NADPH-P450 reductase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:joyce, M.G, leys, D.
Deposit date:2012-02-16
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The crystal structure of the FAD/NADPH-binding domain of flavocytochrome P450 BM3.
Febs J., 279, 2012
4DQK
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BU of 4dqk by Molmil
Crystal structure of the FAD binding domain of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Joyce, M.G, Leys, D.
Deposit date:2012-02-16
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of the FAD/NADPH-binding domain of flavocytochrome P450 BM3.
Febs J., 279, 2012
4EP6
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BU of 4ep6 by Molmil
Crystal structure of the XplA heme domain in complex with imidazole and PEG
Descriptor: Cytochrome P450-like protein XplA, IMIDAZOLE, PENTAETHYLENE GLYCOL, ...
Authors:Bui, S.H, McLean, K.J, Cheesman, M.R, Bradley, J.M, Rigby, S.E.J, Leys, D, Munro, A.W.
Deposit date:2012-04-17
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme XplA.
J.Biol.Chem., 287, 2012
4EPP
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BU of 4epp by Molmil
Canonical poly(ADP-ribose) glycohydrolase from Tetrahymena thermophila.
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Poly(ADP-ribose) glycohydrolase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2012-04-17
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and mechanism of a canonical poly(ADP-ribose) glycohydrolase.
Nat Commun, 3, 2012
4EPQ
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BU of 4epq by Molmil
canonical poly(ADP-ribose) glycohydrolase RBPI inhibitor complex from Tetrahymena thermophila
Descriptor: 3-{(5Z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, Poly(ADP-ribose) glycohydrolase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2012-04-17
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Structure and mechanism of a canonical poly(ADP-ribose) glycohydrolase.
Nat Commun, 3, 2012
4G47
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BU of 4g47 by Molmil
Structure of cytochrome P450 CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)phenol
Descriptor: 4-(1H-1,2,4-triazol-1-yl)phenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C.
Deposit date:2012-07-16
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
4G44
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BU of 4g44 by Molmil
Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline
Descriptor: 3-(1H-1,2,4-triazol-1-ylmethyl)aniline, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C.
Deposit date:2012-07-16
Release date:2012-09-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
4G45
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BU of 4g45 by Molmil
Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine
Descriptor: 2-methylquinolin-6-amine, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C.
Deposit date:2012-07-16
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
4G46
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BU of 4g46 by Molmil
Structure of cytochrome P450 CYP121 in complex with 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate
Descriptor: 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C.
Deposit date:2012-07-16
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
4G48
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BU of 4g48 by Molmil
Structure of CYP121 in complex with 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol
Descriptor: 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C.
Deposit date:2012-07-16
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
2O2K
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BU of 2o2k by Molmil
Crystal Structure of the Activation Domain of Human Methionine Synthase Isoform/Mutant D963E/K1071N
Descriptor: Methionine synthase
Authors:Wolthers, K.R, Toogood, H.S, Jowitt, T.A, Marshall, K.R, Leys, D, Scrutton, N.S.
Deposit date:2006-11-30
Release date:2006-12-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure and solution characterization of the activation domain of human methionine synthase
Febs J., 274, 2007
2OJY
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BU of 2ojy by Molmil
Crystal structure of indol-3-acetaldehyde derived TTQ-amide adduct of aromatic amine dehydrogenase
Descriptor: 2-(1H-INDOL-3-YL)ACETAMIDE, Aromatic amine dehydrogenase, large subunit, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-01-15
Release date:2007-05-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
2OK4
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BU of 2ok4 by Molmil
Crystal structure of aromatic amine dehydrogenase TTQ-phenylacetaldehyde adduct oxidized with ferricyanide
Descriptor: Aromatic amine dehydrogenase, large subunit, small subunit, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-01-16
Release date:2007-05-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
2OK6
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BU of 2ok6 by Molmil
Crystal structure of aromatic amine dehydrogenase TTQ-formamide adduct oxidized with ferricyanide.
Descriptor: Aromatic amine dehydrogenase, large subunit, small subunit, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-01-16
Release date:2007-04-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
2OIZ
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BU of 2oiz by Molmil
Crystal Structure of the Tryptamine-Derived (Indol-3-Acetamide)-TTQ Adduct of Aromatic Amine Dehydrogenase
Descriptor: 2-(1H-INDOL-3-YL)ACETAMIDE, Aromatic amine dehydrogenase, large subunit, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-01-12
Release date:2007-04-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
2Q7Q
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BU of 2q7q by Molmil
Crystal structure of Alcaligenes faecalis AADH in complex with p-chlorobenzylamine.
Descriptor: 1-(4-CHLOROPHENYL)METHANAMINE, Aralkylamine dehydrogenase heavy chain, Aralkylamine dehydrogenase light chain
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-06-07
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
Biochemistry, 46, 2007
2QTL
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BU of 2qtl by Molmil
Crystal Structure of the FAD-containing FNR-like Module of Human Methionine Synthase Reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase
Authors:Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S.
Deposit date:2007-08-02
Release date:2007-11-13
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry
Biochemistry, 46, 2007
2QTZ
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BU of 2qtz by Molmil
Crystal Structure of the NADP+-bound FAD-containing FNR-like Module of Human Methionine Synthase Reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S.
Deposit date:2007-08-02
Release date:2007-11-13
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry
Biochemistry, 46, 2007

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