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4J33
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BU of 4j33 by Molmil
Crystal Structure of kynurenine 3-monooxygenase (KMO-394)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S.
Deposit date:2013-02-05
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
4JGI
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BU of 4jgi by Molmil
1.5 Angstrom crystal structure of a novel cobalamin-binding protein from Desulfitobacterium hafniense DCB-2
Descriptor: CO-METHYLCOBALAMIN, Putative uncharacterized protein
Authors:Sjuts, H, Dunstan, M.S, Fisher, K, Leys, D.
Deposit date:2013-03-01
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the cobalamin-binding protein of a putative O-demethylase from Desulfitobacterium hafniense DCB-2.
Acta Crystallogr.,Sect.D, 69, 2013
3LA5
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BU of 3la5 by Molmil
X-ray crystal structure of mc6 RNA Riboswitch bound to azacytosine
Descriptor: 6-amino-1,3,5-triazin-2(1H)-one, Adenosine RIboswitch, MAGNESIUM ION
Authors:Dunstan, M.S, Leys, D.
Deposit date:2010-01-06
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Reengineering orthogonally selective riboswitches
Proc.Natl.Acad.Sci.USA, 107, 2010
4LX6
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BU of 4lx6 by Molmil
X-ray crystal structure of the M6C" riboswitch aptamer bound to 2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one (PPAO)
Descriptor: 2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one, MAGNESIUM ION, Mutated adenine riboswitch aptamer
Authors:Dunstan, M.S, Leys, D.
Deposit date:2013-07-29
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species.
J.Am.Chem.Soc., 136, 2014
4LX5
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BU of 4lx5 by Molmil
X-ray crystal structure of the M6" riboswitch aptamer bound to pyrimido[4,5-d]pyrimidine-2,4-diamine (PPDA)
Descriptor: MAGNESIUM ION, Mutated adenine riboswitch aptamer, pyrimido[4,5-d]pyrimidine-2,4-diamine
Authors:Dunstan, M.S, Leys, D.
Deposit date:2013-07-29
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species.
J.Am.Chem.Soc., 136, 2014
2H47
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BU of 2h47 by Molmil
Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 1)
Descriptor: Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION
Authors:Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S.
Deposit date:2006-05-23
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
2H3X
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BU of 2h3x by Molmil
Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes Faecalis (Form 3)
Descriptor: Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION
Authors:Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S.
Deposit date:2006-05-23
Release date:2006-11-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
2IAA
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BU of 2iaa by Molmil
Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 2)
Descriptor: Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION
Authors:Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S.
Deposit date:2006-09-07
Release date:2006-11-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
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
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
2FW5
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BU of 2fw5 by Molmil
Diheme cytochrome c from Rhodobacter sphaeroides
Descriptor: DHC, diheme cytochrome c, HEME C
Authors:Mowat, C.G, Leys, D.
Deposit date:2006-02-01
Release date:2006-05-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Studies on DHC, the Diheme Cytochrome c from Rhodobacter sphaeroides, and Its Interaction with SHP, the sphaeroides Heme Protein
Biochemistry, 45, 2006
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
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
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
2H6B
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BU of 2h6b by Molmil
Crystal structure of oxidized CprK in complex with o-chlorophenolacetic acid
Descriptor: (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID, ChloroPhenol Reduction gene K, SULFATE ION
Authors:Joyce, M.G, Levy, C, Leys, D.
Deposit date:2006-05-31
Release date:2006-07-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CprK Crystal Structures Reveal Mechanism for Transcriptional Control of Halorespiration.
J.Biol.Chem., 281, 2006
2H6C
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BU of 2h6c by Molmil
Crystal structure of reduced CprK in absence of any ligand
Descriptor: ChloroPhenol Reduction gene K
Authors:Levy, C, Leys, D.
Deposit date:2006-05-31
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CprK Crystal Structures Reveal Mechanism for Transcriptional Control of Halorespiration.
J.Biol.Chem., 281, 2006
2HKR
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BU of 2hkr by Molmil
Structures of the carbinolamine and schiff-base intermediates in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with p-methoxyphenylethylamine
Descriptor: 2-(4-METHOXYPHENYL)ACETAMIDE, 2-(4-METHOXYPHENYL)ETHANAMINE, Aromatic amine dehydrogenase, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-07-05
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
To be Published
2HJ4
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BU of 2hj4 by Molmil
Crystal structure of Alcaligenes faecalis AADH complex with p-nitrobenzylamine
Descriptor: Aromatic amine dehydrogenase; chain A, B, Aromatic amine dehydrogenase; chain D, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-06-30
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
Biochemistry, 46, 2007
2HJB
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BU of 2hjb by Molmil
Crystal structure of Alcaligenes faecalis AADH in complex with p-methoxybenzylamine
Descriptor: 1-(4-METHOXYPHENYL)METHANAMINE, Aromatic amine dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-06-30
Release date:2007-11-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
Biochemistry, 46, 2007
2HKM
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BU of 2hkm by Molmil
Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with phenylethylamine.
Descriptor: 2-PHENYLETHYLAMINE, Aromatic amine dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-07-05
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
To be Published
2HXC
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BU of 2hxc by Molmil
Crystal structure of the benzylamine complex of aromatic amine dehydrogenase in N-semiquinone form
Descriptor: Aromatic amine dehydrogenase, BENZYLAMINE
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-03
Release date:2006-09-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Atomic level insight into the oxidative half-reaction of aromatic amine dehydrogenase.
J.Biol.Chem., 281, 2006
2I0R
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BU of 2i0r by Molmil
Crystal structure of aromatic amine dehydrogenase TTQ-formamide adduct
Descriptor: Aromatic Amine Dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-11
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 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
2I0S
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BU of 2i0s by Molmil
Crystal structure of aromatic amine dehydrogenase TTQ-phenylacetaldehyde adduct
Descriptor: Aromatic amine dehydrogenase, PHENYLACETALDEHYDE
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-11
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 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

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