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8JBR
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BU of 8jbr by Molmil
Structure of McyA2-CAPCP
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, McyA protein
Authors:Peng, Y.J.
Deposit date:2023-05-09
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of McyA2-CAPCP
To Be Published
8HLK
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BU of 8hlk by Molmil
Structure of McyB-C1A1 complexed with L-Leu and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, LEUCINE, Microcystin synthetase B (Fragment)
Authors:Peng, Y.J.
Deposit date:2022-11-30
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of McyB-C1A1 complexed with L-Leu and AMP
To Be Published
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
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
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
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
8F7I
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BU of 8f7i by Molmil
The condensation domain of surfactin A synthetase C variant 18b in space group P43212
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 2024
8F7H
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BU of 8f7h by Molmil
The condensation domain of surfactin A synthetase C variant 18b in space group P212121
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 2024
8F7G
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BU of 8f7g by Molmil
The condensation domain of surfactin A synthetase C in space group P212121
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 2024
8F7F
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BU of 8f7f by Molmil
The condensation domain of surfactin A synthetase C in space group P43212
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 2024
7X17
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BU of 7x17 by Molmil
Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant-L-Ala
Descriptor: AMB antimetabolite synthase AmbB, S-[2-[3-[[(2S)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2R)-2-azanylpropanethioate
Authors:ChuYuanKee, M, Bharath, S.R, Song, H.
Deposit date:2022-02-23
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
7X0F
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BU of 7x0f by Molmil
Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant
Descriptor: 4'-PHOSPHOPANTETHEINE, AMB antimetabolite synthase AmbB
Authors:ChuYuanKee, M, Bharath, S.R, Song, H.
Deposit date:2022-02-22
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
7X0E
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BU of 7x0e by Molmil
Structure of Pseudomonas NRPS protein, AmbB-TC in apo form
Descriptor: AMB antimetabolite synthase AmbB, N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide
Authors:ChuYuanKee, M, Bharath, S.R, Song, H.
Deposit date:2022-02-22
Release date:2022-07-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
7RY6
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BU of 7ry6 by Molmil
Solution NMR structural bundle of the first cyclization domain from yersiniabactin synthetase (Cy1) impacted by dynamics
Descriptor: HMWP2 nonribosomal peptide synthetase
Authors:Kancherla, A.K, Mishra, S.H, Marincin, K.A, Nerli, S, Sgourakis, N.G, Dowling, D.P, Bouvignies, G, Frueh, D.P.
Deposit date:2021-08-24
Release date:2022-07-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Global protein dynamics as communication sensors in peptide synthetase domains.
Sci Adv, 8, 2022
7R9X
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BU of 7r9x by Molmil
Crystal structure of a dehydrating condensation domain, AmbE-CmodAA, involved in nonribosomal peptide synthesis
Descriptor: AmbE, IODIDE ION, SODIUM ION
Authors:Fortinez, C.M, Schmeing, T.M.
Deposit date:2021-06-29
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure and Function of a Dehydrating Condensation Domain in Nonribosomal Peptide Biosynthesis.
J.Am.Chem.Soc., 144, 2022
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
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
7JUA
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BU of 7jua by Molmil
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase at 2.35 A resolution
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
Authors:Xia, Y, Soule, J, Dowling, D.P.
Deposit date:2020-08-19
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 2022
7JTJ
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BU of 7jtj by Molmil
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
Authors:Xia, Y, Gnann, A.D, Dowling, D.P.
Deposit date:2020-08-17
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 298, 2022
7EN2
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BU of 7en2 by Molmil
Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-after-condensation, condensation
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, Dihydroaeruginoic acid synthetase
Authors:Wang, J.L, Wang, Z.J.
Deposit date:2021-04-15
Release date:2021-12-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
Nat Commun, 13, 2022
7EN1
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BU of 7en1 by Molmil
Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-after-condensation
Descriptor: (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, 2-HYDROXYBENZOIC ACID, 4'-PHOSPHOPANTETHEINE, ...
Authors:Wang, J.L, Wang, Z.J.
Deposit date:2021-04-15
Release date:2021-12-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
Nat Commun, 13, 2022
7EMY
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BU of 7emy by Molmil
Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module
Descriptor: 2-HYDROXYBENZOIC ACID, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ...
Authors:Wang, J.L, Wang, Z.J.
Deposit date:2021-04-15
Release date:2021-12-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
Nat Commun, 13, 2022
7CPY
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BU of 7cpy by Molmil
Lovastatin nonaketide synthase with LovC
Descriptor: Lovastatin nonaketide synthase, enoyl reductase component lovC, polyketide synthase component, ...
Authors:Wang, J, Wang, Z.
Deposit date:2020-08-08
Release date:2021-01-13
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for the biosynthesis of lovastatin.
Nat Commun, 12, 2021
7CPX
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BU of 7cpx by Molmil
Lovastatin nonaketide synthase
Descriptor: Lovastatin nonaketide synthase, polyketide synthase component, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, J, Wang, Z.
Deposit date:2020-08-08
Release date:2021-01-13
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural basis for the biosynthesis of lovastatin.
Nat Commun, 12, 2021

 

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