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7C1U
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BU of 7c1u by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
2XHG
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BU of 2xhg by Molmil
Crystal Structure of the Epimerization Domain from the Initiation Module of Tyrocidine Biosynthesis
Descriptor: GLYCEROL, SODIUM ION, TYROCIDINE SYNTHETASE A
Authors:Samel, S.-A, Heine, A, Marahiel, M.A, Essen, L.-O.
Deposit date:2010-06-15
Release date:2011-07-06
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the Epimerization Domain of Tyrocidine Synthetase A
Acta Crystallogr.,Sect.D, 70, 2014
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
5DU9
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BU of 5du9 by Molmil
First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 2a
Descriptor: (2S)-2-amino-N-butyl-propanamide, CDA peptide synthetase I, CHLORIDE ION, ...
Authors:Bloudoff, K, Alonzo, D.A, Schmeing, T.M.
Deposit date:2015-09-18
Release date:2016-03-30
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemical Probes Allow Structural Insight into the Condensation Reaction of Nonribosomal Peptide Synthetases.
Cell Chem Biol, 23, 2016
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
4JN3
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BU of 4jn3 by Molmil
Crystal structures of the first condensation domain of the CDA synthetase
Descriptor: CDA peptide synthetase I
Authors:Bloudoff, K, Schmeing, T.M.
Deposit date:2013-03-14
Release date:2013-06-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal Structures of the First Condensation Domain of CDA Synthetase Suggest Conformational Changes during the Synthetic Cycle of Nonribosomal Peptide Synthetases.
J.Mol.Biol., 425, 2013
7C1R
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BU of 7c1r by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
5ISW
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BU of 5isw by Molmil
Structure of the apo PCP-E didomain of the gramicidin S synthetase A
Descriptor: GLYCEROL, Gramicidin S synthase 1
Authors:Chen, W.-H, Li, K, Bruner, S.D.
Deposit date:2016-03-15
Release date:2016-06-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Interdomain and Intermodule Organization in Epimerization Domain Containing Nonribosomal Peptide Synthetases.
Acs Chem.Biol., 11, 2016
6AD3
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BU of 6ad3 by Molmil
Structural characterization of the condensation domain from Monacolin K polyketide synthase MokA
Descriptor: Lovastatin nonaketide synthase mokA
Authors:Wang, L, Zheng, J.
Deposit date:2018-07-30
Release date:2019-04-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of the condensation domain from lovastatin polyketide synthase.
Synth Syst Biotechnol, 4, 2019
5DLK
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BU of 5dlk by Molmil
The crystal structure of CT mutant
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-09-06
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
7C1L
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BU of 7c1l by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
2JGP
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BU of 2jgp by Molmil
Structure of the TycC5-6 PCP-C bidomain of the tyrocidine synthetase TycC
Descriptor: 1,4-DIETHYLENE DIOXIDE, SODIUM ION, SULFATE ION, ...
Authors:Samel, S.A, Schoenafinger, G, Knappe, T.A, Marahiel, M.A, Essen, L.-O.
Deposit date:2007-02-13
Release date:2007-10-30
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Insights Into a Peptide Bond-Forming Bidomain from a Nonribosomal Peptide Synthetase.
Structure, 15, 2007
5DUA
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BU of 5dua by Molmil
First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 3a
Descriptor: CDA peptide synthetase I, CHLORIDE ION, N-pentyl-L-alaninamide
Authors:Bloudoff, K, Alonzo, D.A, Schmeing, T.M.
Deposit date:2015-09-18
Release date:2016-03-30
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chemical Probes Allow Structural Insight into the Condensation Reaction of Nonribosomal Peptide Synthetases.
Cell Chem Biol, 23, 2016
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
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
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
4ZNM
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BU of 4znm by Molmil
Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form)
Descriptor: C-domain type II peptide synthetase, CHLORIDE ION, SODIUM ION
Authors:Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-05-04
Release date:2015-05-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form)
To Be Published
6CGO
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BU of 6cgo by Molmil
Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase
Descriptor: Condensation domain protein, PHOSPHATE ION
Authors:Valentic, T.R, Tsai, S.C, Challis, G.L, Lewandowski, J.R, Kosol, S, Gallo, A, Griffiths, D, Masschelein, J.L, Jenner, M, De los Santos, E.
Deposit date:2018-02-20
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for chain release from the enacyloxin polyketide synthase.
Nat.Chem., 11, 2019
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
5T7Z
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BU of 5t7z by Molmil
Monoclinic crystal form of the EpoB NRPS cyclization-docking bidomain from Sorangium cellulosum
Descriptor: EpoB
Authors:Dowling, D.P, Kung, Y, Croft, A.K, Taghizadeh, K, Kelly, W.L, Walsh, C.T, Drennan, C.L.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural elements of an NRPS cyclization domain and its intermodule docking domain.
Proc.Natl.Acad.Sci.USA, 113, 2016
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
6OYF
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BU of 6oyf by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-14
Release date:2019-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
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
6P4U
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BU of 6p4u by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and AMP
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-28
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
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

 

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