6Q7O
 
 | | Crystal structure of OE1 | | Descriptor: | CALCIUM ION, OE1 | | Authors: | Levy, C.W. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
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6Q7Q
 | | Crystal structure of OE1.3 | | Descriptor: | OE1.3 | | Authors: | Levy, C.W. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
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5OP9
 | | The crystal structure of P450 CYP121 in complex with lead compound 7e | | Descriptor: | 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Levy, C.W. | | Deposit date: | 2017-08-09 | | Release date: | 2018-03-28 | | Last modified: | 2024-05-01 | | 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
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5OPA
 | | The crystal structure of P450 CYP121 in complex with lead compound 7b | | Descriptor: | 3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole, DI(HYDROXYETHYL)ETHER, Mycocyclosin synthase, ... | | Authors: | Levy, C.W. | | Deposit date: | 2017-08-09 | | Release date: | 2018-03-28 | | Last modified: | 2024-05-01 | | 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
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6QIX
 | | The crystal structure of Trichuris muris p43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Levy, C.W. | | Deposit date: | 2019-01-21 | | Release date: | 2019-06-12 | | Last modified: | 2024-10-23 | | 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
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6QB2
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6RNW
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6RNV
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1D8A
 | | 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: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular basis of triclosan activity.
Nature, 398, 1999
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7O1D
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6FOY
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6FP1
 | | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1 | | Descriptor: | 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Levy, C.W, Leys, D. | | Deposit date: | 2018-02-08 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
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6FPH
 | | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1h | | Descriptor: | 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Levy, C.W, Leys, D. | | Deposit date: | 2018-02-09 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
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6FP0
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6FOX
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6GEO
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6GEQ
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6GII
 | | 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: | 2024-01-17 | | 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
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6GIA
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant I107A | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 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
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6GI7
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant L25I | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | 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
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6GI8
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant L25A | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | 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
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6GI9
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant I107L | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 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
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3KOZ
 | | Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Anaerobic) | | Descriptor: | (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine, 5'-DEOXYADENOSINE, COBALAMIN, ... | | Authors: | Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D. | | Deposit date: | 2009-11-14 | | Release date: | 2010-01-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
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2XKR
 | | Crystal Structure of Mycobacterium tuberculosis CYP142: A novel cholesterol oxidase | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 142, 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: | 2023-12-20 | | 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
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4YXP
 | | The structure of the folded domain of the signature multifunctional protein ICP27 from herpes simplex virus-1 reveals an intertwined dimer. | | Descriptor: | ZINC ION, mRNA export factor | | Authors: | Tunnicliffe, R.B, Schacht, M, Levy, C.W, Jowitt, T.A, Sandri-Goldin, R.M, Golovanov, A.P. | | Deposit date: | 2015-03-23 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The structure of the folded domain from the signature multifunctional protein ICP27 from herpes simplex virus-1 reveals an intertwined dimer.
Sci Rep, 5, 2015
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