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3DG9
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BU of 3dg9 by Molmil
Crystal Structure of Malonate Decarboxylase from Bordatella bronchiseptica
Descriptor: Arylmalonate decarboxylase, PHOSPHATE ION
Authors:Okrasa, K, Levy, C, Baudendistel, N, Leys, D, Micklefield, J.
Deposit date:2008-06-13
Release date:2008-08-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and Mechanism of an Unusual Malonate Decarboxylase and Related Racemases.
Chemistry, 14, 2008
1XT7
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BU of 1xt7 by Molmil
Daptomycin NMR Structure
Descriptor: DAPTOMYCIN, DECANOIC ACID
Authors:Ball, L.-J, Goult, C.M, Donarski, J.A, Micklefield, J, Ramesh, V.
Deposit date:2004-10-21
Release date:2004-11-16
Last modified:2025-03-26
Method:SOLUTION NMR
Cite:NMR Structure Determination and Calcium Binding Effects of Lipopeptide Antibiotic Daptomycin
Org.Biomol.Chem., 2, 2004
4Z44
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BU of 4z44 by Molmil
F454K Mutant of Tryptophan 7-halogenase PrnA
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ...
Authors:Shepherd, S.A, Karthikeyan, C, Latham, J, Struck, A.-W, Thompson, M.L, Menon, B, Levy, C.W, Leys, D, Micklefield, J.
Deposit date:2015-04-01
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
3IP8
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BU of 3ip8 by Molmil
Crystal structure of arylmalonate decarboxylase (AMDase) from Bordatella bronchiseptic in complex with benzylphosphonate
Descriptor: Arylmalonate decarboxylase, benzylphosphonic acid
Authors:Okrasa, K, Levy, C, Leys, D, Micklefield, J.
Deposit date:2009-08-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Structure-Guided Directed Evolution of Alkenyl and Arylmalonate Decarboxylases.
Angew.Chem.Int.Ed.Engl., 48, 2009
8RA0
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BU of 8ra0 by Molmil
Crystal structure of CysF
Descriptor: AMP-dependent synthetase, CITRATE ANION, TETRAETHYLENE GLYCOL
Authors:Levy, C.W.
Deposit date:2023-11-30
Release date:2024-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Cryptic enzymatic assembly of peptides armed with beta-lactone warheads.
Nat.Chem.Biol., 20, 2024
6Q57
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BU of 6q57 by Molmil
X-ray crystal structure of the tetrahydrofolate riboswitch aptamer bound to 5-deazatetrahydropterin
Descriptor: 5-deazatetrahydropterin, MAGNESIUM ION, tetrahydrofolate riboswitch aptamer
Authors:Dunstan, M.S.
Deposit date:2018-12-07
Release date:2019-12-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Tetrahydrofolate Riboswitches Provide Distinct Genetic Outputs to Synthetic and Natural Signals.
To Be Published
5HY5
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BU of 5hy5 by Molmil
Crystal Structure of a Tryptophan 6-halogenase (SttH) from Streptomyces toxytricini
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase
Authors:Levy, C.
Deposit date:2016-02-01
Release date:2016-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:A Structure-Guided Switch in the Regioselectivity of a Tryptophan Halogenase.
Chembiochem, 17, 2016
4Z43
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BU of 4z43 by Molmil
Crystal structure of Tryptophan 7-halogenase (PrnA) Mutant E450K
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ...
Authors:Levy, C.W.
Deposit date:2015-04-01
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
5LVA
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BU of 5lva by Molmil
Crystal structure of thermophilic tryptophan halogenase (Th-Hal) enzyme from Streptomycin violaceusniger.
Descriptor: FLAVIN MONONUCLEOTIDE, NAD(P)H-FMN oxidoreductase
Authors:Dunstan, M.S, Menon, B.
Deposit date:2016-09-13
Release date:2016-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure and biocatalytic scope of thermophilic flavin-dependent halogenase and flavin reductase enzymes.
Org.Biomol.Chem., 14, 2016
5LV9
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BU of 5lv9 by Molmil
Crystal structure of thermophilic tryptophan halogenase (Th-Hal) enzyme from Streptomycin violaceusniger.
Descriptor: thermophilic tryptophan halogenase
Authors:Dunstan, M.S, Menon, B.
Deposit date:2016-09-13
Release date:2016-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure and biocatalytic scope of thermophilic flavin-dependent halogenase and flavin reductase enzymes.
Org.Biomol.Chem., 14, 2016
7A9J
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BU of 7a9j by Molmil
Crystal structure of the R395G mutant form of Coronafacic Acid Ligase from Pectobacterium brasiliense
Descriptor: 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid, Cfl, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-09-02
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery, characterization and engineering of ligases for amide synthesis.
Nature, 593, 2021
7A9I
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BU of 7a9i by Molmil
Crystal structure of Coronafacic Acid Ligase from Pectobacterium brasiliense
Descriptor: 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid, Cfl, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-09-02
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery, characterization and engineering of ligases for amide synthesis.
Nature, 593, 2021
5FHR
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BU of 5fhr by Molmil
Crystal structure of Y200L mutant of Rat Catechol-O-Methyltransferase in complex with AdoMet and 3,5-dinitrocatechol
Descriptor: 3,5-DINITROCATECHOL, BROMIDE ION, Catechol O-methyltransferase, ...
Authors:Levy, C.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Effects of Active-Site Modification and Quaternary Structure on the Regioselectivity of Catechol-O-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 55, 2016
5FHQ
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BU of 5fhq by Molmil
Crystal structure of (WT) Rat Catechol-O-Methyltransferase in complex with AdoMet and 3,5-dinitrocatechol (DNC)
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Effects of Active-Site Modification and Quaternary Structure on the Regioselectivity of Catechol-O-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 55, 2016
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
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
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
6GKV
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BU of 6gkv by Molmil
Crystal structure of Coclaurine N-Methyltransferase (CNMT) bound to N-methylheliamine and SAH
Descriptor: 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium, Coclaurine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Dunstan, M.S, Levy, C.W.
Deposit date:2018-05-22
Release date:2018-06-06
Last modified:2025-12-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure and Biocatalytic Scope of Coclaurine N-Methyltransferase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GKY
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BU of 6gky by Molmil
Crystal structure of Coclaurine N-Methyltransferase (CNMT) bound to N-methylheliamine and SAH
Descriptor: 6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one, Coclaurine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Dunstan, M.S, Levy, C.W.
Deposit date:2018-05-22
Release date:2018-06-06
Last modified:2025-12-10
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:Structure and Biocatalytic Scope of Coclaurine N-Methyltransferase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GKZ
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BU of 6gkz by Molmil
Crystal structure of Coclaurine N-Methyltransferase (CNMT) bound to N-methylheliamine and SAH
Descriptor: Coclaurine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Dunstan, M.S, Levy, C.W.
Deposit date:2018-05-22
Release date:2019-01-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure and Biocatalytic Scope of Coclaurine N-Methyltransferase.
Angew. Chem. Int. Ed. Engl., 57, 2018

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