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2MR8
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BU of 2mr8 by Molmil
holo structure of the Peptidyl Carrier Protein Domain 7 of the teicoplanin producing Non-ribosomal peptide synthetase
Descriptor: Non-ribosomal peptide synthetase
Authors:Haslinger, K, Maximowitsch, E, Redfield, C, Cryle, M.J.
Deposit date:2014-07-02
Release date:2015-01-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the terminal PCP domain of the non-ribosomal peptide synthetase in teicoplanin biosynthesis.
Proteins, 83, 2015
2MR7
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BU of 2mr7 by Molmil
apo structure of the Peptidyl Carrier Protein Domain 7 of the teicoplanin producing Non-ribosomal peptide synthetase
Descriptor: Non-ribosomal peptide synthetase
Authors:Haslinger, K, Maximowitsch, E, Redfield, C, Cryle, M.J.
Deposit date:2014-07-02
Release date:2015-01-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the terminal PCP domain of the non-ribosomal peptide synthetase in teicoplanin biosynthesis.
Proteins, 83, 2015
4PXH
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BU of 4pxh by Molmil
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in complex with a peptidyl carrier protein domain
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, Peptide synthetase, ...
Authors:Haslinger, K, Cryle, M.J.
Deposit date:2014-03-24
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of a transient complex of a nonribosomal Peptide synthetase and a cytochrome p450 monooxygenase.
Angew.Chem.Int.Ed.Engl., 53, 2014
4PWV
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BU of 4pwv by Molmil
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in complex with a peptidyl carrier protein domain
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, Peptide synthetase, ...
Authors:Haslinger, K, Cryle, M.J.
Deposit date:2014-03-21
Release date:2014-07-23
Last modified:2014-08-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of a transient complex of a nonribosomal Peptide synthetase and a cytochrome p450 monooxygenase.
Angew.Chem.Int.Ed.Engl., 53, 2014
7TTP
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BU of 7ttp by Molmil
P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 hydroxylase
Authors:Greule, A, Izore, T, Cryle, M.J.
Deposit date:2022-02-01
Release date:2022-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTA
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BU of 7tta by Molmil
P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation, attenuated beam
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase
Authors:Greule, A, Izore, T, Cryle, M.J.
Deposit date:2022-02-01
Release date:2022-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTO
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BU of 7tto by Molmil
P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 hydroxylase
Authors:Greule, A, Izore, T, Cryle, M.J.
Deposit date:2022-02-01
Release date:2022-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTB
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BU of 7ttb by Molmil
P450 (OxyA) from kistamicin biosynthesis, Y99F mutant
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase
Authors:Greule, A, Izore, T, Cryle, M.J.
Deposit date:2022-02-01
Release date:2022-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.801592 Å)
Cite:The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTQ
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BU of 7ttq by Molmil
P450 (OxyA) from kistamicin biosynthesis, imidazole complex
Descriptor: GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Greule, A, Izore, T, Cryle, M.J.
Deposit date:2022-02-01
Release date:2022-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
4RM4
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BU of 4rm4 by Molmil
The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G.
Deposit date:2014-10-18
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis.
Mol Biosyst, 11, 2015
4TX3
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BU of 4tx3 by Molmil
Complex of the X-domain and OxyB from Teicoplanin Biosynthesis
Descriptor: 1,2-ETHANEDIOL, OxyB protein, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Peschke, M, Haslinger, K, Cryle, M.J.
Deposit date:2014-07-02
Release date:2015-02-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-domain of peptide synthetases recruits oxygenases crucial for glycopeptide biosynthesis.
Nature, 521, 2015
8FX7
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BU of 8fx7 by Molmil
Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state
Descriptor: 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate, PCP-C didomain
Authors:Ho, Y.T.C, Cryle, M.J.
Deposit date:2023-01-24
Release date:2023-06-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8G3I
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BU of 8g3i by Molmil
Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3J
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BU of 8g3j by Molmil
Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8GJ4
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BU of 8gj4 by Molmil
A1 Tei: Adenylation domain 1 core construct from teicoplanin biosynthesis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MbtH-like short polypeptide, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GKM
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BU of 8gkm by Molmil
A1 Leu graft + Leu: Adenylation domain 1 core construct from teicoplanin biosynthesis, leucine selection pocket graft; leucine bound
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, LEUCINE, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-20
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GLC
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BU of 8glc by Molmil
A1 AncAla: Adenylation domain 1 core construct from ancestral reconstruction of glycopeptide antibiotic biosynthesis, alanine selection pocket
Descriptor: MbtH-like short polypeptide, Non-ribosomal peptide synthetase
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-21
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GIC
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BU of 8gic by Molmil
A1 Tei + Hpg: Adenylation domain 1 core construct from teicoplanin biosynthesis; 4-hydroxyphenylglycine bound
Descriptor: (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MbtH-like short polypeptide, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8FX6
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BU of 8fx6 by Molmil
Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state
Descriptor: N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide, PCP-C didomain
Authors:Ho, Y.T.C, Cryle, M.J.
Deposit date:2023-01-24
Release date:2023-06-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8GJP
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BU of 8gjp by Molmil
A1 Int graft: Adenylation domain 1 core construct from teicoplanin biosynthesis, intermediate selection pocket graft
Descriptor: MbtH-like short polypeptide, Non-ribosomal peptide synthetase
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-16
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
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
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
6DYS
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BU of 6dys by Molmil
C-terminal condensation domain of Ebony in complex with beta-alanyl-dopamine
Descriptor: CALCIUM ION, Ebony, N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
Authors:Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019

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