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6WUP
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BU of 6wup by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral cyclohexadienyl dehydratase, AncCDT-5, ...
Authors:Kaczmarski, J.A, Mahawaththa, M.C.
Deposit date:2020-05-05
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme.
Nat Commun, 11, 2020
5TUJ
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BU of 5tuj by Molmil
Ancestral Cationic Amino Acid Solute Binding Protein (AncCDT-1)
Descriptor: Ancestral protein CDT-Anc1
Authors:Kaczmarski, J.A, Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-11-06
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.352 Å)
Cite:Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
6MMO
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BU of 6mmo by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Carbon regulatory PII-like protein SbtB, ...
Authors:Kaczmarski, J.A, Jackson, C.
Deposit date:2018-10-01
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6MMQ
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BU of 6mmq by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to cAMP
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Carbon regulatory PII-like protein SbtB
Authors:Kaczmarski, J.A, Jackson, C.
Deposit date:2018-10-01
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6MMC
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BU of 6mmc by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Carbon regulatory PII-like protein SbtB, ...
Authors:Kaczmarski, J.A, Jackson, C.
Deposit date:2018-09-30
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6MM2
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BU of 6mm2 by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to ATP and calcium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Kaczmarski, J.A, Jackson, C.
Deposit date:2018-09-28
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6N4A
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BU of 6n4a by Molmil
PII-like SbtB from Cyanobium sp PCC 7001 (apo)
Descriptor: PHOSPHATE ION, PII-like SbtB
Authors:Kaczmarski, J.A, Jackson, C.J.
Deposit date:2018-11-18
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6NTB
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BU of 6ntb by Molmil
PII-like SbtB from Cyanobium sp PCC 7001 bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, SbtB7001, ...
Authors:Kaczmarski, J.A, Jackson, C.J.
Deposit date:2019-01-28
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
8UPI
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BU of 8upi by Molmil
Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine
Descriptor: 1,2-ETHANEDIOL, AMINOSERINE, CALCIUM ION, ...
Authors:Frkic, R.L, Smith, O.B, Rahman, M, Kaczmarski, J.A, Jackson, C.J.
Deposit date:2023-10-22
Release date:2023-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Characterization of a Bacterial Periplasmic Solute Binding Protein That Binds l-Amino Acid Amides.
Biochemistry, 63, 2024
6DYN
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BU of 6dyn by Molmil
C-terminal condensation domain of Ebony in complex with Histamine
Descriptor: CALCIUM ION, Ebony, HISTAMINE
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 (2.102 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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
6DYO
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BU of 6dyo by Molmil
C-terminal condensation domain of Ebony in complex with L-Dopamine
Descriptor: CALCIUM ION, Ebony, L-DOPAMINE
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 (2.84 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DYM
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BU of 6dym by Molmil
C-terminal condensation domain of Ebony
Descriptor: CALCIUM ION, Ebony
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:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DYR
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BU of 6dyr by Molmil
C-terminal condensation domain of Ebony in complex with Carcinine
Descriptor: Ebony, N-[2-(1H-imidazol-5-yl)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 (2.45 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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
8CRU
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BU of 8cru by Molmil
PETase Ancestral Sequence Reconstruction 008
Descriptor: CITRIC ACID, Poly(ethylene terephthalate) hydrolase
Authors:Joho, Y, Royan, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2022-05-11
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Ancestral Sequence Reconstruction Identifies Structural Changes Underlying the Evolution of Ideonella sakaiensis PETase and Variants with Improved Stability and Activity.
Biochemistry, 62, 2023
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
Authors:Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
5HPQ
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BU of 5hpq by Molmil
Crystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
Descriptor: ACETATE ION, Cyclohexadienyl dehydratase
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-20
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
To Be Published
6BQE
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BU of 6bqe by Molmil
Low-resolution structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa in space group P4322.
Descriptor: ACETATE ION, Arogenate dehydratase
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2017-11-27
Release date:2017-12-13
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
5JOS
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BU of 5jos by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-3(P188L).
Descriptor: BENZOIC ACID, CITRIC ACID, Cyclohexadienyl dehydratase, ...
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-05-03
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:To be published
To Be Published
5KKW
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BU of 5kkw by Molmil
Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
Descriptor: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, Cyclohexadienyl dehydratase, SULFATE ION
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-06-22
Release date:2017-07-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
To Be Published
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

 

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