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7QVH
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BU of 7qvh by Molmil
The crystal structure of HotPETase, an evolved thermostable variant of IsPETase
Descriptor: Poly(ethylene terephthalate) hydrolase, TRIETHYLENE GLYCOL
Authors:Hardy, F.J, Levy, C, Green, A.P.
Deposit date:2022-01-21
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Directed evolution of an efficient and thermostable PET depolymerase
Nat Catal, 2022
6Y1T
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BU of 6y1t by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification
Descriptor: 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ...
Authors:Ortmayer, M, Levy, C, Green, A.P.
Deposit date:2020-02-13
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
6Y2Y
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BU of 6y2y by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with Trp51 to S-Trp51 and Trp191Phe modifications
Descriptor: 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ...
Authors:Ortmayer, M, Levy, C, Green, A.P.
Deposit date:2020-02-17
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
6H08
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BU of 6h08 by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a His175Me-His proximal ligand substitution
Descriptor: COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ...
Authors:Ortmayer, M, Levy, C, Green, A.P.
Deposit date:2018-07-06
Release date:2020-02-12
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rewiring the "Push-Pull" Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code.
Acs Catalysis, 10, 2020
5L86
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BU of 5l86 by Molmil
engineered ascorbate peroxidise
Descriptor: Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Hayashi, T, Mittl, P, Hilvert, D.
Deposit date:2016-06-07
Release date:2017-03-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Chemically Programmed Proximal Ligand Enhances the Catalytic Properties of a Heme Enzyme.
J. Am. Chem. Soc., 138, 2016
9EQF
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BU of 9eqf by Molmil
Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate
Descriptor: 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
Authors:Hardy, F.J.
Deposit date:2024-03-21
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code
Acs Catalysis, 2024
5OJA
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BU of 5oja by Molmil
Structure of MbQ
Descriptor: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D.
Deposit date:2017-07-21
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.347 Å)
Cite:A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold.
J. Am. Chem. Soc., 140, 2018
5OJB
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BU of 5ojb by Molmil
Structure of MbQ NMH
Descriptor: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D.
Deposit date:2017-07-21
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold.
J. Am. Chem. Soc., 140, 2018
5OJC
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BU of 5ojc by Molmil
Structure of MbQ2.1 NMH
Descriptor: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D.
Deposit date:2017-07-21
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold.
J. Am. Chem. Soc., 140, 2018
5OJ9
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BU of 5oj9 by Molmil
Structure of Mb NMH
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D.
Deposit date:2017-07-21
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold.
J. Am. Chem. Soc., 140, 2018
8BP0
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BU of 8bp0 by Molmil
Crystal structure of BHMeHis1.8, an engineered enzyme for the Morita-Baylis-Hillman reaction
Descriptor: 1,2-ETHANEDIOL, BHMeHis1.8, TRIETHYLENE GLYCOL
Authors:Hardy, F.J.
Deposit date:2022-11-15
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
8BP1
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BU of 8bp1 by Molmil
Crystal structure of BHMeHis1.0, an engineered enzyme for the Morita-Baylis-Hillman reaction
Descriptor: ACETATE ION, BHMeHis1.0, DI(HYDROXYETHYL)ETHER, ...
Authors:Hardy, F.J.
Deposit date:2022-11-15
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
7ZP5
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BU of 7zp5 by Molmil
Crystal structure of designed photoenzyme EnT1.0
Descriptor: Diisopropyl-fluorophosphatase, PHOSPHATE ION
Authors:Hardy, F.J, Levy, C.
Deposit date:2022-04-26
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
7ZP7
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BU of 7zp7 by Molmil
Crystal structure of evolved photoenzyme EnT1.3 (truncated) with bound product
Descriptor: (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one, 1,2-ETHANEDIOL, EnT1.3 C
Authors:Hardy, F.J, Levy, C.
Deposit date:2022-04-26
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
7ZP6
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BU of 7zp6 by Molmil
Crystal structure of evolved photoenzyme EnT1.3
Descriptor: Diisopropyl-fluorophosphatase
Authors:Hardy, F.J, Levy, C.
Deposit date:2022-04-26
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
8C3W
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BU of 8c3w by Molmil
Crystal structure of a computationally designed heme binding protein, dnHEM1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Ortmayer, M, Levy, C.
Deposit date:2022-12-29
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
7O1D
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BU of 7o1d by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.7
Descriptor: BH32.7 protein
Authors:Levy, C.W.
Deposit date:2021-03-29
Release date:2021-11-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 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
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
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
8C49
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BU of 8c49 by Molmil
Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for 3-Methyl-L-histidine, bound to AMPPNP
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Hardy, F.J, Levy, C.W.
Deposit date:2023-01-03
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Engineering mutually orthogonal PylRS/tRNA pairs for dual encoding of functional histidine analogues.
Protein Sci., 32, 2023

 

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