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7KW0
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BU of 7kw0 by Molmil
Non-ribosomal didomain (stabilised glycine-PCP-C) acceptor bound state
Descriptor: N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, PCP-C didomain
Authors:Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
Deposit date:2020-11-29
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
7KVW
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BU of 7kvw by Molmil
Non-ribosomal didomain (holo-PCP-C) acceptor bound state
Descriptor: 4'-PHOSPHOPANTETHEINE, PCP-C didomain
Authors:Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
Deposit date:2020-11-29
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
7KW2
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BU of 7kw2 by Molmil
Non-ribosomal didomain (holo-PCP-C) acceptor bound state, R2577G
Descriptor: 4'-PHOSPHOPANTETHEINE, PCP-C didomain
Authors:Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
Deposit date:2020-11-29
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
7KW3
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BU of 7kw3 by Molmil
Non Ribosomal PCP domain
Descriptor: PCP domain, SULFATE ION
Authors:Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
Deposit date:2020-11-29
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
6WZP
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BU of 6wzp by Molmil
The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4
Descriptor: 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2020-05-14
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Acs Catalysis, 11, 2021
8D39
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BU of 8d39 by Molmil
The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid
Descriptor: 4-benzoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-06-01
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
6M7L
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BU of 6m7l by Molmil
Complex of OxyA with the X-domain from GPA biosynthesis
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase
Authors:Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J.
Deposit date:2018-08-20
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.648297 Å)
Cite:Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
8U3N
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BU of 8u3n by Molmil
Structure of P450Blt from Micromonospora sp. MW-13
Descriptor: Cytochrome P450-SU1, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hansen, M.H, Cryle, M.J, Zhao, Y.
Deposit date:2023-09-08
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8U2M
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BU of 8u2m by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-09-06
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8UKZ
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BU of 8ukz by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
Descriptor: ACETATE ION, Cytochrome P450-SU1, DI(HYDROXYETHYL)ETHER, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-10-15
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
7JW5
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BU of 7jw5 by Molmil
Crystal structure of WT-CYP199A4 in complex with 4-phenylbenzoic acid
Descriptor: CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2020-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.526 Å)
Cite:Different Geometric Requirements for Cytochrome P450-Catalyzed Aliphatic Versus Aromatic Hydroxylation Results in Chemoselective Oxidation
Acs Catalysis, 12, 2022
7JXB
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BU of 7jxb by Molmil
The crystal structure of 4-(3'-methoxyphenyl)benzoic acid-bound CYP199A4
Descriptor: 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Doherty, D.Z, Bell, S.G, Bruning, J.
Deposit date:2020-08-27
Release date:2022-03-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7KCS
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BU of 7kcs by Molmil
The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4
Descriptor: 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2020-10-07
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Acs Catalysis, 11, 2021
7TND
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BU of 7tnd by Molmil
The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid
Descriptor: 4-phenoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-20
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7TNF
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BU of 7tnf by Molmil
The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid
Descriptor: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-21
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7TNU
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BU of 7tnu by Molmil
The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid
Descriptor: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-21
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7TRU
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BU of 7tru by Molmil
The crystal structure of WT CYP199A4 bound to 4-(thiophen-2-yl)benzoic acid
Descriptor: 4-(thiophen-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-01-31
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes.
Chemistry, 29, 2023
7TRT
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BU of 7trt by Molmil
The crystal structure of CYP199A4 bound to 4-(furan-2-yl)benzoic acid
Descriptor: 4-(furan-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-01-30
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes.
Chemistry, 29, 2023

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PDB entries from 2024-06-12

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