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5FTS
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BU of 5fts by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-14
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FLL
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BU of 5fll by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW) from Bacillus subtilis in complex with a Pimeloyl-adenylate
Descriptor: 6-CARBOXYHEXANOATE-COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ...
Authors:Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
Deposit date:2015-10-26
Release date:2016-11-16
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
5FU8
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BU of 5fu8 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-21
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FLG
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BU of 5flg by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP
Descriptor: 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
Deposit date:2015-10-26
Release date:2016-11-16
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
5FP1
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BU of 5fp1 by Molmil
Crystal structure of the siderophore receptor PiuA from Acinetobacter baumannii
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PHOSPHATE ION, TONB-DEPENDENT SIDEROPHORE RECEPTOR
Authors:Moynie, L, Tortajada, A, Naismith, J.H.
Deposit date:2015-11-26
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Antimicrob. Agents Chemother., 61, 2017
5FYE
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BU of 5fye by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-03-07
Release date:2017-03-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FOK
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BU of 5fok by Molmil
Crystal structure of the siderophore receptor PiuA from Pseudomonas aeruginosa
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, IRON TRANSPORT OUTER MEMBRANE RECEPTOR, SODIUM ION, ...
Authors:Moynie, L, Naismith, J.H.
Deposit date:2015-11-23
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Antimicrob. Agents Chemother., 61, 2017
5FTV
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BU of 5ftv by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-18
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
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
5FU0
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BU of 5fu0 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-19
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FM0
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BU of 5fm0 by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis (PtCl4 derivative)
Descriptor: 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ...
Authors:Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
Deposit date:2015-10-29
Release date:2016-11-16
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
5FR8
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BU of 5fr8 by Molmil
Crystal structure of the siderophore receptor PirA from Acinetobacter baumannii
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, TONB-DEPENDENT SIDEROPHORE RECEPTOR
Authors:Moynie, L, Tortajada, A, Naismith, J.H.
Deposit date:2015-12-16
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Antimicrob. Agents Chemother., 61, 2017
5G1F
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BU of 5g1f by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with coenzyme A
Descriptor: 6-CARBOXYHEXANOATE-COA LIGASE, COENZYME A, NONAETHYLENE GLYCOL, ...
Authors:Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
Deposit date:2016-03-25
Release date:2017-03-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Structure of the 6-Carboxyhexanoate-Coa Ligase from Bacillus Subtilis
To be Published
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
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
2C0A
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BU of 2c0a by Molmil
Mechanism of the Class I KDPG aldolase
Descriptor: KHG/KDPG ALDOLASE, PHOSPHATE ION
Authors:Hutchins, M.J, Fullerton, S.W.B, Toone, E.J, Naismith, J.H.
Deposit date:2005-08-29
Release date:2005-09-01
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
2C5A
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BU of 2c5a by Molmil
GDP-mannose-3', 5' -epimerase (Arabidopsis thaliana),Y174F, with GDP-beta-L-galactose bound in the active site
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GDP-MANNOSE-3', ...
Authors:Major, L.L, Wolucka, B.A, Naismith, J.H.
Deposit date:2005-10-26
Release date:2005-11-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and Function of Gdp-Mannose-3',5'-Epimerase: An Enzyme which Performs Three Chemical Reactions at the Same Active Site.
J.Am.Chem.Soc., 127, 2005
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
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
2C5E
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BU of 2c5e by Molmil
gdp-mannose-3', 5' -epimerase (arabidopsis thaliana), k217a, with gdp-alpha-d-mannose bound in the active site.
Descriptor: FORMIC ACID, GDP-MANNOSE-3', 5'-EPIMERASE, ...
Authors:Major, L.L, Wolucka, B.A, Naismith, J.H.
Deposit date:2005-10-26
Release date:2005-11-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Function of Gdp-Mannose-3',5'-Epimerase: An Enzyme which Performs Three Chemical Reactions at the Same Active Site.
J.Am.Chem.Soc., 127, 2005
2BLL
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BU of 2bll by Molmil
Apo-structure of the C-terminal decarboxylase domain of ArnA
Descriptor: PROTEIN YFBG
Authors:Williams, G.J, Breazeale, S.D, Raetz, C.R.H, Naismith, J.H.
Deposit date:2005-03-07
Release date:2005-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Function of Both Domains of Arna, a Dual Function Decarboxylase and a Formyltransferase, Involved in 4-Amino-4-Deoxy-L- Arabinose Biosynthesis.
J.Biol.Chem., 280, 2005
2BKR
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BU of 2bkr by Molmil
NEDD8 NEDP1 complex
Descriptor: NEDDYLIN, SENTRIN-SPECIFIC PROTEASE 8
Authors:Shen, L.N, Liu, H, Dong, C, Xirodimas, D, Naismith, J.H, Hay, R.T.
Deposit date:2005-02-18
Release date:2005-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Nedd8 Ubiquitin Discrimination by the Deneddylating Enzyme Nedp1
Embo J., 24, 2005
2C59
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BU of 2c59 by Molmil
gdp-mannose-3', 5' -epimerase (arabidopsis thaliana), with gdp-alpha-d-mannose and gdp-beta-l-galactose bound in the active site.
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GDP-MANNOSE-3', ...
Authors:Major, L.L, Wolucka, B.A, Naismith, J.H.
Deposit date:2005-10-26
Release date:2005-11-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Function of Gdp-Mannose-3',5'-Epimerase: An Enzyme which Performs Three Chemical Reactions at the Same Active Site.
J.Am.Chem.Soc., 127, 2005
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
2BLN
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BU of 2bln by Molmil
N-terminal formyltransferase domain of ArnA in complex with N-5- formyltetrahydrofolate and UMP
Descriptor: ACETATE ION, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, PROTEIN YFBG, ...
Authors:Williams, G.J, Breazeale, S.D, Raetz, C.R.H, Naismith, J.H.
Deposit date:2005-03-07
Release date:2005-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure and Function of Both Domains of Arna, a Dual Function Decarboxylase and a Formyltransferase, Involved in 4-Amino-4-Deoxy-L-Arabinose Biosynthesis.
J.Biol.Chem., 280, 2005

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