Author results

1D8A
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E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX
Descriptor:ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Levy, C.W., Roujeinikova, A., Sedelnikova, S., Baker, P.J., Stuitje, A.R., Slabas, A.R., Rice, D.W., Rafferty, J.B.
Deposit date:1999-10-21
Release date:1999-10-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of triclosan activity.
Nature, 398, 1999
1KKO
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CRYSTAL STRUCTURE OF CITROBACTER AMALONATICUS METHYLASPARTATE AMMONIA LYASE
Descriptor:3-METHYLASPARTATE AMMONIA-LYASE, SULFATE ION
Authors:Levy, C.W., Buckley, P.A., Sedelnikova, S., Kato, Y., Asano, Y., Rice, D.W., Baker, P.J.
Deposit date:2001-12-10
Release date:2002-01-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Insights into enzyme evolution revealed by the structure of methylaspartate ammonia lyase.
Structure, 10, 2002
1KKR
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CRYSTAL STRUCTURE OF CITROBACTER AMALONATICUS METHYLASPARTATE AMMONIA LYASE CONTAINING (2S,3S)-3-METHYLASPARTIC ACID
Descriptor:3-METHYLASPARTATE AMMONIA-LYASE, MAGNESIUM ION, (2S,3S)-3-methyl-aspartic acid
Authors:Levy, C.W., Buckley, P.A., Sedelnikova, S., Kato, K., Asano, Y., Rice, D.W., Baker, P.J.
Deposit date:2001-12-10
Release date:2002-01-30
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into enzyme evolution revealed by the structure of methylaspartate ammonia lyase.
Structure, 10, 2002
5CPO
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CRYSTAL STRUCTURE OF XENA FROM PSEUDOMONAS PUTIDA IN COMPLEX WITH AN NADH MIMIC (MBU)
Descriptor:Xenobiotic reductase, 1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ...
Authors:Levy, C.W.
Deposit date:2015-07-21
Release date:2016-01-20
Last modified:2016-02-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
5O4K
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CRYSTAL STRUCTURE OF P450 CYP121 IN COMPLEX WITH COMPOUND 6B.
Descriptor:Mycocyclosin synthase, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2017-05-29
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
5O4L
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CRYSTAL STRUCTURE OF P450 CYP121 IN COMPLEX WITH COMPOUND 6A.
Descriptor:Mycocyclosin synthase, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2017-05-29
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
5OP9
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THE CRYSTAL STRUCTURE OF P450 CYP121 IN COMPLEX WITH LEAD COMPOUND 7E
Descriptor:Mycocyclosin synthase, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2017-08-09
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.455 Å)
Cite:Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
5OPA
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THE CRYSTAL STRUCTURE OF P450 CYP121 IN COMPLEX WITH LEAD COMPOUND 7B
Descriptor:Mycocyclosin synthase, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2017-08-09
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.345 Å)
Cite:Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
6GII
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THE CRYSTAL STRUCTURE OF TEPIDIPHILUS THERMOPHILUS P450 HEME DOMAIN
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Levy, C.W.
Deposit date:2018-05-11
Release date:2018-05-30
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of P450-TT heme-domain provides the first structural insights into the versatile class VII P450s.
Biochem. Biophys. Res. Commun., 501, 2018
6QB2
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CRYSTAL STRUCTURE OF THE CYSTATIN-BASED ENGINEERED PROTEIN SCAFFOLD SQT-1C
Descriptor:Monomer of SQT-1C
Authors:Levy, C.W.
Deposit date:2018-12-20
Release date:2019-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Studies of the oligomerisation mechanism of a cystatin-based engineered protein scaffold.
Sci Rep, 9, 2019
6QIX
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THE CRYSTAL STRUCTURE OF TRICHURIS MURIS P43
Descriptor:P43, N-ACETYL-D-GLUCOSAMINE, ACETATE ION, ...
Authors:Levy, C.W.
Deposit date:2019-01-21
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function.
Nat Commun, 10, 2019
2XKR
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS CYP142: A NOVEL CHOLESTEROL OXIDASE
Descriptor:PUTATIVE CYTOCHROME P450 142, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL
Authors:Driscoll, M., McLean, K.J., Levy, C.W., Lafite, P., Mast, N., Pikuleva, I.A., Rigby, S.E.J., Leys, D., Munro, A.W.
Deposit date:2010-07-12
Release date:2010-09-29
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural and Biochemical Characterization of Mycobacterium Tuberculosis Cyp142: Evidence for Multiple Cholesterol 27-Hydroxylase Activities in a Human Pathogen.
J.Biol.Chem., 285, 2010
3KX3
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CRYSTAL STRUCTURE OF BACILLUS MEGATERIUM BM3 HEME DOMAIN MUTANT L86E
Descriptor:Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, N-PALMITOYLGLYCINE
Authors:Girvan, H.M., Levy, C.W., Leys, D., Munro, A.W.
Deposit date:2009-12-02
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 2010
3KX4
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CRYSTAL STRUCTURE OF BACILLUS MEGATERIUM BM3 HEME DOMAIN MUTANT I401E
Descriptor:Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Girvan, H.M., Levy, C.W., Leys, D., Munro, A.W.
Deposit date:2009-12-02
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 2010
3KX5
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CRYSTAL STRUCTURE OF BACILLUS MEGATERIUM BM3 HEME DOMAIN MUTANT F261E
Descriptor:Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Girvan, H.M., Levy, C.W., Leys, D., Munro, A.W.
Deposit date:2009-12-02
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.686 Å)
Cite:Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 2010
5CPL
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THE CRYSTAL STRUCTURE OF XENOBIOTIC REDUCTASE A (XENA) FROM PSEUDOMONAS PUTIDA IN COMPLEX WITH A NICOTINAMIDE MIMIC (MNH2)
Descriptor:Xenobiotic reductase, 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ...
Authors:Knaus, T., Paul, C.E., Levy, C.W., Mutti, F.G., Hollmann, F., Scrutton, N.S.
Deposit date:2015-07-21
Release date:2016-01-20
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
5CPM
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XENA FROM PSEUDOMONAS PUTIDA IN COMPLEX WITH NADPH4.
Descriptor:Xenobiotic reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL
Authors:Knaus, T., Paul, C.E., Levy, C.W., Mutti, F.G., Hollmann, F., Scrutton, N.S.
Deposit date:2015-07-21
Release date:2016-01-20
Last modified:2016-02-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
5CPN
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CRYSTAL STRUCTURE OF XENA FROM PSEUDOMONAS PUTIDA IN COMPLEX WITH AN NADH MIMIC (MAC)
Descriptor:Xenobiotic reductase, 1-[(3S)-1-benzylpiperidin-3-yl]ethanone, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL
Authors:Knaus, T., Paul, C.E., Levy, C.W., Mutti, F.G., Hollmann, F., Scrutton, N.S.
Deposit date:2015-07-21
Release date:2016-01-20
Last modified:2016-02-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
4KVQ
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CRYSTAL STRUCTURE OF PROCHLOROCOCCUS MARINUS ALDEHYDE-DEFORMYLATING OXYGENASE WILD TYPE WITH PALMITIC ACID BOUND
Descriptor:Aldehyde decarbonylase, FE (III) ION, PALMITIC ACID
Authors:Levy, C.W., Khara, B., Menon, N., Mansell, D., Das, D., Marsh, E.N.G., Leys, D., Scrutton, N.S.
Deposit date:2013-05-23
Release date:2013-06-26
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
4KVR
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CRYSTAL STRUCTURE OF PROCHLOROCOCCUS MARINUS ALDEHYDE-DEFORMYLATING OXYGENASE (MUTANT V41Y)
Descriptor:Aldehyde decarbonylase, HEXANOIC ACID, FE (III) ION
Authors:Levy, C.W., Khara, B., Menon, N., Mansell, D., Das, D., Marsh, E.N.G., Leys, D., Scrutton, N.S.
Deposit date:2013-05-23
Release date:2013-06-26
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
4KVS
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CRYSTAL STRUCTURE OF PROCHLOROCOCCUS MARINUS ALDEHYDE-DEFORMYLATING OXYGENASE (MUTANT A134F)
Descriptor:Aldehyde decarbonylase, HEXANOIC ACID, FE (III) ION
Authors:Levy, C.W., Khara, B., Menon, N., Mansell, D., Das, D., Marsh, E.N.G., Leys, D., Scrutton, N.S.
Deposit date:2013-05-23
Release date:2013-06-26
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
4Z43
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CRYSTAL STRUCTURE OF TRYPTOPHAN 7-HALOGENASE (PRNA) MUTANT E450K
Descriptor:Flavin-dependent tryptophan halogenase PrnA, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Levy, C.W.
Deposit date:2015-04-01
Release date:2016-01-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
5C5T
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THE CRYSTAL STRUCTURE OF VIRAL COLLAGEN PROLYL HYDROXYLASE VCPH FROM PARAMECIUM BURSARIA CHLORELLA VIRUS-1 - 2OG COMPLEX
Descriptor:Prolyl 4-hydroxylase, 2-OXOGLUTARIC ACID, ZINC ION, ...
Authors:Levy, C.W.
Deposit date:2015-06-22
Release date:2015-09-30
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Structure and Mechanism of a Viral Collagen Prolyl Hydroxylase.
Biochemistry, 54, 2015
6GI7
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CRYSTAL STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE (PETNR) MUTANT L25I
Descriptor:Pentaerythritol tetranitrate reductase, FLAVIN MONONUCLEOTIDE, ACETATE ION
Authors:Levy, C.W.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
6GI8
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CRYSTAL STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE (PETNR) MUTANT L25A
Descriptor:Pentaerythritol tetranitrate reductase, FLAVIN MONONUCLEOTIDE, ACETATE ION
Authors:Levy, C.W.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018