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5FIU
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BU of 5fiu by Molmil
Binding and structural studies of a 5,5-difluoromethyl adenosine nucleoside with the fluorinase enzyme
Descriptor: 5'-FLUORO-5'-DEOXY-ADENOSINE SYNTHASE, 5,5-DIFLUOROMETHYL ADENOSINE, L(+)-TARTARIC ACID
Authors:Thompson, S, McMahon, S.A, Naismith, J.H, O'Hagan, D.
Deposit date:2015-10-02
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Exploration of a Potential Difluoromethyl-Nucleoside Substrate with the Fluorinase Enzyme.
Bioorg.Chem., 64, 2015
5LMZ
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BU of 5lmz by Molmil
Fluorinase from Streptomyces sp. MA37
Descriptor: 1-DEAZA-ADENOSINE, CHLORIDE ION, Fluorinase, ...
Authors:Mann, G, O'Hagan, D, Naismith, J.H, Bandaranayaka, N.
Deposit date:2016-08-02
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Identification of fluorinases from Streptomyces sp MA37, Norcardia brasiliensis, and Actinoplanes sp N902-109 by genome mining.
Chembiochem, 15, 2014
2WR8
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BU of 2wr8 by Molmil
Structure of Pyrococcus horikoshii SAM hydroxide adenosyltransferase in complex with SAH
Descriptor: PUTATIVE UNCHARACTERIZED PROTEIN PH0463, S-ADENOSYL-L-HOMOCYSTEINE
Authors:McMahon, S.A, Deng, H, O'Hagan, D, Johnson, K.A, Naismith, J.H.
Deposit date:2009-08-31
Release date:2009-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Mechanistic Insights Into Water Activation in Sam Hydroxide Adenosyltransferase (Duf-62).
Chembiochem, 10, 2009
1RQP
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BU of 1rqp by Molmil
Crystal structure and mechanism of a bacterial fluorinating enzyme
Descriptor: 5'-fluoro-5'-deoxyadenosine synthase, S-ADENOSYLMETHIONINE
Authors:Dong, C, Huang, F, Deng, H, Schaffrath, C, Spencer, J.B, O'Hagan, D, Naismith, J.H.
Deposit date:2003-12-06
Release date:2004-03-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and mechanism of a bacterial fluorinating enzyme
Nature, 427, 2004
1RQR
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BU of 1rqr by Molmil
Crystal structure and mechanism of a bacterial fluorinating enzyme, product complex
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE, 5'-fluoro-5'-deoxyadenosine synthase, METHIONINE
Authors:Dong, C, Huang, F, Deng, H, Schaffrath, C, Spencer, J.B, O'Hagan, D, Naismith, J.H.
Deposit date:2003-12-07
Release date:2004-03-02
Last modified:2022-06-15
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure and mechanism of a bacterial fluorinating enzyme
Nature, 427, 2004
3LCC
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BU of 3lcc by Molmil
Structure of a SAM-dependent halide methyltransferase from Arabidopsis thaliana
Descriptor: CHLORIDE ION, Putative methyl chloride transferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Schmidberger, J.W, O'Hagan, D, Naismith, J.H.
Deposit date:2010-01-10
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Halomethane Biosynthesis: Structure of a SAM-Dependent Halide Methyltransferase from Arabidopsis thaliana
Angew.Chem.Int.Ed.Engl., 49, 2010
4CQJ
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BU of 4cqj by Molmil
Fluorinase substrate flexibility enables last step aqueous and ambient 18F fluorination of a RGD peptide for positron emission tomography
Descriptor: 5'-FLUORO-5'-DEOXY-ADENOSINE SYNTHASE, 5'-deoxy-2-ethynyl-5'-fluoroadenosine
Authors:McMahon, S.A, Thompson, S, O'Hagan, D, Naismith, J.H.
Deposit date:2014-02-17
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structure of a Bacterial Fluorinating Enzyme with
To be Published
2C4U
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BU of 2c4u by Molmil
Crystal structure of the apo form of the 5'-Fluoro-5'-deoxyadenosine synthase enzyme from Streptomyces cattleya
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, GLYCEROL
Authors:McEwan, A.R, Deng, H, Robinson, D.A, DeLaurentis, W, McGlinchey, R.P, O'Hagan, D, Naismith, J.H.
Deposit date:2005-10-22
Release date:2006-04-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates.
Org. Biomol. Chem., 4, 2006
2C2W
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BU of 2c2w by Molmil
The fluorinase from Streptomyces cattleya is also a chlorinase. Structure of 5'-chloro-5'-deoxyadenosine crystallised in the fluorinase.
Descriptor: 5'-CHLORO-5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION
Authors:McEwan, A.R, Naismith, J.H, O'Hagan, D.
Deposit date:2005-09-30
Release date:2005-12-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The fluorinase from Streptomyces cattleya is also a chlorinase.
Angew. Chem. Int. Ed. Engl., 45, 2006
2C4T
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BU of 2c4t by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with an inhibitor, an analogue of S- adenosyl methionine
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE
Authors:McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H.
Deposit date:2005-10-22
Release date:2007-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrates and Inhibitors of the Fluorinase from Streptomyces Cattleya
To be Published
2CBX
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BU of 2cbx by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with beta-D-erythrofuranosyl- adenosine
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, BETA-D-ERYTHROFURANOSYL-ADENOSINE, GLYCEROL
Authors:McEwan, A.R, Cadicamo, C.D, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H, Spencer, J.
Deposit date:2006-01-09
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates.
Org. Biomol. Chem., 4, 2006
2V7W
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BU of 2v7w by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase s158g mutant complexed with 5'-fluorodeoxyadenosin
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE
Authors:Zhu, X, O'Hagan, D, Naismith, J.H.
Deposit date:2007-08-02
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of enzymatic fluorination in Streptomyces cattleya.
J. Am. Chem. Soc., 129, 2007
2V7V
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BU of 2v7v by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from streptomyces cattleya complexed with 5'-fluorodeoxyadenosine
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE
Authors:Zhu, X, O'Hagan, D, Naismith, J.H.
Deposit date:2007-08-02
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism of enzymatic fluorination in Streptomyces cattleya.
J. Am. Chem. Soc., 129, 2007
2V7X
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BU of 2v7x by Molmil
X-RAY CRYSTAL STRUCTURE OF 5'-FLUORODEOXYADENOSINE SYNTHASE S158A mutant FROM STREPTOMYCES CATTLEYA COMPLEXED WITH the PRODUCTS, FDA and Met
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, METHIONINE
Authors:Robinson, D.A, Zhu, X, O'Hagan, D, Naismith, J.H.
Deposit date:2007-08-02
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mechanism of enzymatic fluorination in Streptomyces cattleya.
J. Am. Chem. Soc., 129, 2007
2V7U
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BU of 2v7u by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase s158g mutant complexed with s-adenosylmethionine and chloride ion
Descriptor: 5'-FLUORO-5'-DEOXY ADENOSINE SYNTHETASE, CHLORIDE ION, S-ADENOSYLMETHIONINE
Authors:Zhu, X, O'Hagan, D, Naismith, J.H.
Deposit date:2007-08-02
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of enzymatic fluorination in Streptomyces cattleya.
J. Am. Chem. Soc., 129, 2007
2V7T
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BU of 2v7t by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase s158g mutant complexed with s-adenosyl-l-homocysteine and chloride ion
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Zhu, X, O'Hagan, D, Naismith, J.H.
Deposit date:2007-08-01
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mechanism of enzymatic fluorination in Streptomyces cattleya.
J. Am. Chem. Soc., 129, 2007
2C5B
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BU of 2c5b by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-5'deoxy-fluoroadenosine.
Descriptor: 5'-FLUORO-2',5'-DIDEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, METHIONINE
Authors:McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.A, O'Hagan, D, Naismith, J.H, Spencer, J.
Deposit date:2005-10-26
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Specificity in Enzymatic Fluorination. The Fluorinase from Streptomyces Cattleya Accepts 2'-Deoxyadenosine Substrates.
Org.Biomol.Chem., 4, 2006
2C5H
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BU of 2c5h by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-adenosine
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION, ...
Authors:McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H, Spencer, J.
Deposit date:2005-10-27
Release date:2006-10-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substrates and Inhibitors of the Fluorinase from Streptomyces Cattleya
To be Published
2CC2
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BU of 2cc2 by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 5'deoxyadenosine
Descriptor: 5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION
Authors:Mcewan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Spencer, J, Naismith, J.H.
Deposit date:2006-01-11
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates.
Org. Biomol. Chem., 4, 2006
3NYP
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BU of 3nyp by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
Descriptor: 3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Campbell, N.H, Neidle, S.
Deposit date:2010-07-15
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.179 Å)
Cite:Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Org.Biomol.Chem., 9, 2011
3NZ7
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BU of 3nz7 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
Descriptor: 3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Campbell, N.H, Neidle, S.
Deposit date:2010-07-16
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Org.Biomol.Chem., 9, 2011

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