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PDB: 74 results

6I3D
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BU of 6i3d by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and Sinefungin
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
6I3C
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BU of 6i3c by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and S-adensoyl-L-methionine
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
8PVQ
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BU of 8pvq by Molmil
Crystal Structure of Human PTX3 C-terminal domain
Descriptor: Pentraxin-related protein PTX3
Authors:Levy, C.W.
Deposit date:2023-07-18
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Pentraxin 3 mediated crosslinking of heavy chain hyaluronan complexes: new insights from structural and biophysical studies
To Be Published
8QHE
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BU of 8qhe by Molmil
Crystal structure IR-09
Descriptor: 6-phosphogluconate dehydrogenase NADP-binding domain-containing protein, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Levy, C.W.
Deposit date:2023-09-07
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters.
J.Am.Chem.Soc., 145, 2023
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
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
5C5T
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BU of 5c5t by Molmil
The crystal structure of viral collagen prolyl hydroxylase vCPH from Paramecium Bursaria Chlorella virus-1 - 2OG complex
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Prolyl 4-hydroxylase, ...
Authors:Levy, C.W.
Deposit date:2015-06-22
Release date:2015-09-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Structure and Mechanism of a Viral Collagen Prolyl Hydroxylase.
Biochemistry, 54, 2015
1KKR
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BU of 1kkr by Molmil
CRYSTAL STRUCTURE OF CITROBACTER AMALONATICUS METHYLASPARTATE AMMONIA LYASE CONTAINING (2S,3S)-3-METHYLASPARTIC ACID
Descriptor: (2S,3S)-3-methyl-aspartic acid, 3-METHYLASPARTATE AMMONIA-LYASE, MAGNESIUM ION
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
1KKO
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BU of 1kko by Molmil
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:2024-11-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Insights into enzyme evolution revealed by the structure of methylaspartate ammonia lyase.
Structure, 10, 2002
7ZRN
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BU of 7zrn by Molmil
Crystal structure of 10-epi-cubebol synthase from Sorangium cellulosum (ScCubS) in complex with Pyrophosphate
Descriptor: 10-epi-cubebol synthase, ACETATE ION, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2022-05-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:How a 10- epi-Cubebol Synthase Avoids Premature Reaction Quenching to Form a Tricyclic Product at High Purity.
Acs Catalysis, 12, 2022
5CPO
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BU of 5cpo by Molmil
Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mBu)
Descriptor: 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, 1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide, CALCIUM ION, ...
Authors:Levy, C.W.
Deposit date:2015-07-21
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
4KVR
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BU of 4kvr by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant V41Y)
Descriptor: Aldehyde decarbonylase, FE (III) ION, HEXANOIC 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:2024-02-28
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
4KVQ
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BU of 4kvq by Molmil
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:2024-02-28
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
4KVS
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BU of 4kvs by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant A134F)
Descriptor: Aldehyde decarbonylase, FE (III) ION, HEXANOIC 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:2024-02-28
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
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:2024-10-16
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
1D8A
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BU of 1d8a by Molmil
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
8BOU
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BU of 8bou by Molmil
Crystal structure of Blautia producta GH94
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Levy, C.W.
Deposit date:2022-11-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Blautia producta is a competent degrader among human gut Firmicutes for utilizing dietary beta mixed linkage glucan
To Be Published
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
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
6Z1L
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BU of 6z1l by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12
Descriptor: 1,2-ETHANEDIOL, BH32.12 protein, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
6Z1K
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BU of 6z1k by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.6
Descriptor: 1,2-ETHANEDIOL, BH32.6 protein, CALCIUM ION, ...
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022

 

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