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4TN0
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BU of 4tn0 by Molmil
Crystal Structure of the C-terminal Periplasmic Domain of Phosphoethanolamine Transferase EptC from Campylobacter jejuni
Descriptor: UPF0141 protein yjdB, ZINC ION
Authors:Fage, C.D, Brown, D, Boll, J.M, Keatinge-Clay, A.T, Trent, M.S.
Deposit date:2014-06-02
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic study of the phosphoethanolamine transferase EptC required for polymyxin resistance and motility in Campylobacter jejuni.
Acta Crystallogr.,Sect.D, 70, 2014
4W61
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BU of 4w61 by Molmil
Crystal structure of beta-ketoacyl thiolase B (BktB) from Ralstonia eutropha
Descriptor: Beta-ketothiolase BktB
Authors:Fage, C.D, Keatinge-Clay, A.T.
Deposit date:2014-08-19
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Coenzyme A-free activity, crystal structure, and rational engineering of a promiscuous beta-ketoacyl thiolase fromRalstonia eutropha.
J. Mol. Catal., B Enzym., 121, 2015
6TA8
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BU of 6ta8 by Molmil
Crystal structure of the epimerization domain from the third module of tyrocidine synthetase B, TycB3(E)
Descriptor: Tyrocidine synthase 2
Authors:Fage, C.D, Marahiel, M.A.
Deposit date:2019-10-29
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Communication Breakdown: Dissecting the COM Interfaces between the Subunits of Nonribosomal Peptide Synthetases
Acs Catalysis, 2021
6TBC
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BU of 6tbc by Molmil
Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B
Descriptor: (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Fage, C.D, Masschelein, J.
Deposit date:2019-11-01
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Angew.Chem.Int.Ed.Engl., 59, 2020
6TBB
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BU of 6tbb by Molmil
Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin A (batumin)
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADPH], Kalimantacin, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Fage, C.D, Masschelein, J.
Deposit date:2019-11-01
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Angew.Chem.Int.Ed.Engl., 59, 2020
4PNE
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BU of 4pne by Molmil
Crystal Structure of the [4+2]-Cyclase SpnF
Descriptor: MALONATE ION, Methyltransferase-like protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Fage, C.D, Isiorho, E.A, Liu, Y.-N, Liu, H.-W, Keatinge-Clay, A.T.
Deposit date:2014-05-23
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of SpnF, a standalone enzyme that catalyzes [4 + 2] cycloaddition.
Nat.Chem.Biol., 11, 2015
8AW0
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BU of 8aw0 by Molmil
Crystal structure of PksD, the trans-acting acyl hydrolase domain from the bacillaene trans-AT PKS (native)
Descriptor: Polyketide biosynthesis acyltransferase homolog PksD, ZINC ION
Authors:Fage, C.D, Challis, G.L, Lewandowski, J, Jenner, M.
Deposit date:2022-08-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for acyl hydrolysis in trans-AT polyketide synthases
To Be Published
8AVZ
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BU of 8avz by Molmil
Crystal structure of PksD, the trans-acting acyl hydrolase domain from the bacillaene trans-AT PKS (SeMet derivative)
Descriptor: Polyketide biosynthesis acyltransferase homolog PksD, ZINC ION
Authors:Fage, C.D, Challis, G.L, Lewandowski, J, Jenner, M.
Deposit date:2022-08-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for acyl hydrolysis in trans-AT polyketide synthases
To Be Published
5JRK
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BU of 5jrk by Molmil
Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (SeMet-derived)
Descriptor: Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein, beta-D-glucopyranose
Authors:Fage, C.D, Hegemann, J.D, Bange, G, Marahiel, M.A.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016
5JRL
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BU of 5jrl by Molmil
Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (Native)
Descriptor: Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein
Authors:Fage, C.D, Hegemann, J.D, Bange, G, Marahiel, M.A.
Deposit date:2016-05-06
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016
5JQF
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BU of 5jqf by Molmil
Crystal structure of the lasso peptide Sphingopyxin I (SpI)
Descriptor: Sphingopyxin I
Authors:Fage, C.D, Hegemann, J.D, Harms, K, Bange, G, Marahiel, M.A.
Deposit date:2016-05-04
Release date:2016-09-14
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew. Chem. Int. Ed. Engl., 55, 2016
5D9E
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BU of 5d9e by Molmil
Crystal Structure of the Proline-rich Lasso Peptide Caulosegnin II
Descriptor: CHLORIDE ION, Caulosegnin II
Authors:Fage, C.D, Hegemann, J.D, Harms, K, Marahiel, M.A.
Deposit date:2015-08-18
Release date:2016-02-17
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (0.859 Å)
Cite:The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II.
Mol Biosyst, 12, 2016
4OXI
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BU of 4oxi by Molmil
Crystal structure of Vibrio cholerae adenylation domain AlmE in complex with glycyl-adenosine-5'-phosphate
Descriptor: Enterobactin synthetase component F-related protein, GLYCYL-ADENOSINE-5'-PHOSPHATE
Authors:Fage, C.D, Henderson, J.C, Keatinge-Clay, A.T, Trent, M.S.
Deposit date:2014-02-05
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.261 Å)
Cite:Antimicrobial peptide resistance of Vibrio cholerae results from an LPS modification pathway related to nonribosomal peptide synthetases.
Acs Chem.Biol., 9, 2014
8AQQ
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BU of 8aqq by Molmil
SeMet-derived crystal structure of the N-terminal beta-hairpin docking (bHD) domain of the AerJ halogenase, from the aeruginosin biosynthetic assembly line
Descriptor: AerJ, CHLORIDE ION
Authors:Fage, C.D, Lewandowski, J.R, Challis, G.L.
Deposit date:2022-08-13
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Tandem halogenation and condensation in aeruginosin biosynthesis is directed by docking domain-mediated carrier protein recruitment
To Be Published
8AQR
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BU of 8aqr by Molmil
Native crystal structure of the N-terminal beta-hairpin docking (bHD) domain of the AerJ halogenase, from the aeruginosin biosynthetic assembly line
Descriptor: AerJ, CHLORIDE ION
Authors:Fage, C.D, Lewandowski, J.R, Challis, G.L.
Deposit date:2022-08-13
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Tandem halogenation and condensation in aeruginosin biosynthesis is directed by docking domain-mediated carrier protein recruitment
To Be Published
5OQZ
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BU of 5oqz by Molmil
Crystal structure of the lasso peptide rubrivinodin
Descriptor: Rubrivinodin
Authors:Fage, C.D, Hegemann, J.D, Marahiel, M.A.
Deposit date:2017-08-14
Release date:2018-02-07
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (0.806 Å)
Cite:General rules of fragmentation evidencing lasso structures in CID and ETD.
Analyst, 143, 2018
5DEC
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BU of 5dec by Molmil
Crystal structure of the small alarmone synthetase 1 from Bacillus subtilis
Descriptor: GTP pyrophosphokinase YjbM
Authors:Steinchen, W, Altegoer, A, Schuhmacher, J.S, Bange, G.
Deposit date:2015-08-25
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic mechanism and allosteric regulation of an oligomeric (p)ppGpp synthetase by an alarmone.
Proc.Natl.Acad.Sci.USA, 112, 2015
4IMP
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BU of 4imp by Molmil
The missing linker: a dimerization motif located within polyketide synthase modules
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Polyketide synthase extender modules 3-4
Authors:Zheng, J, Keatinge-Clay, A.T.
Deposit date:2013-01-03
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The missing linker: a dimerization motif located within polyketide synthase modules.
Acs Chem.Biol., 8, 2013
5DED
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BU of 5ded by Molmil
Crystal structure of the small alarmone synthethase 1 from Bacillus subtilis bound to its product pppGpp
Descriptor: GTP pyrophosphokinase YjbM, MAGNESIUM ION, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
Authors:Steinchen, W, Schuhmacher, J.S, Altegoer, F, Bange, G.
Deposit date:2015-08-25
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.942 Å)
Cite:Catalytic mechanism and allosteric regulation of an oligomeric (p)ppGpp synthetase by an alarmone.
Proc.Natl.Acad.Sci.USA, 112, 2015
5F2V
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BU of 5f2v by Molmil
Crystal structure of the small alarmone synthethase 1 from Bacillus subtilis bound to AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GTP pyrophosphokinase YjbM, MAGNESIUM ION
Authors:Steinchen, W, Schuhmacher, J.S, Altegoer, F, Bange, G.
Deposit date:2015-12-02
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Catalytic mechanism and allosteric regulation of an oligomeric (p)ppGpp synthetase by an alarmone.
Proc.Natl.Acad.Sci.USA, 112, 2015
5J8Q
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BU of 5j8q by Molmil
Crystal Structure of the Cysteine Desulfurase SufS of Bacillus subtilis
Descriptor: ALANINE, Cysteine desulfurase SufS, PYRIDOXAL-5'-PHOSPHATE
Authors:Altegoer, F, Bange, G.
Deposit date:2016-04-08
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Crystal Structure of Bacillus subtilis Cysteine Desulfurase SufS and Its Dynamic Interaction with Frataxin and Scaffold Protein SufU.
Plos One, 11, 2016
5T3E
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BU of 5t3e by Molmil
Crystal structure of a nonribosomal peptide synthetase heterocyclization domain.
Descriptor: Bacillamide synthetase heterocyclization domain, SULFATE ION
Authors:Bloudoff, K, Schmeing, T.M.
Deposit date:2016-08-25
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural and mutational analysis of the nonribosomal peptide synthetase heterocyclization domain provides insight into catalysis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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