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PDB: 74 results

6RNV
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BU of 6rnv by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
Descriptor: CHLORIDE ION, Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
Authors:Levy, C.W.
Deposit date:2019-05-09
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6QIX
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BU of 6qix by Molmil
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:2024-05-01
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
6QB2
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BU of 6qb2 by Molmil
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
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Studies of the oligomerisation mechanism of a cystatin-based engineered protein scaffold.
Sci Rep, 9, 2019
6RNW
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BU of 6rnw by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) in complex with NADP.
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase
Authors:Levy, C.W.
Deposit date:2019-05-09
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6FOZ
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BU of 6foz by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 13
Descriptor: 5-(3,4-dichlorophenyl)furan-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
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 (2.15 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
Descriptor: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
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 (2.03 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOX
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BU of 6fox by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
Descriptor: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
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 (1.9 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6GEO
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BU of 6geo by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 10j
Descriptor: 2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2018-04-27
Release date:2019-08-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019
6GEQ
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BU of 6geq by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 14a
Descriptor: 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2018-04-27
Release date:2019-08-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019
6GII
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BU of 6gii by Molmil
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
6FP1
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BU of 6fp1 by Molmil
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
6FPH
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BU of 6fph by Molmil
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
6FOY
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BU of 6foy by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
Descriptor: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
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 (1.65 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6Q7P
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BU of 6q7p by Molmil
Crystal structure of OE1.2
Descriptor: 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-12-13
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
6Q7R
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BU of 6q7r by Molmil
Crystal structure of OE1.3 alkylated with the mechanistic inhibitor 2-bromoacetophenone
Descriptor: 1-PHENYLETHANONE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Levy, C.W.
Deposit date:2018-12-13
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
6Q7O
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BU of 6q7o by Molmil
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
6Q7N
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BU of 6q7n by Molmil
Crystal structure of BH32 alkylated with the mechanistic inhibitor 2-bromoacetophenone
Descriptor: 1-PHENYLETHANONE, BH32
Authors:Levy, C.W.
Deposit date:2018-12-13
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
6Q7Q
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BU of 6q7q by Molmil
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
6GIA
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BU of 6gia by Molmil
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
6GI7
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BU of 6gi7 by Molmil
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
6GI8
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BU of 6gi8 by Molmil
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
6GI9
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BU of 6gi9 by Molmil
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
2XKR
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BU of 2xkr by Molmil
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
3KX5
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BU of 3kx5 by Molmil
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:2024-05-29
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
3KP0
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BU of 3kp0 by Molmil
Crystal Structure of ORNITHINE 4,5 AMINOMUTASE in complex with 2,4-diaminobutyrate (DAB) (Aerobic)
Descriptor: (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid, 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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