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3ZXY
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BU of 3zxy by Molmil
Structure of S218A mutant of the protease domain of PatA
Descriptor: SUBTILISIN-LIKE PROTEIN
Authors:Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H.
Deposit date:2011-08-16
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
4AGE
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BU of 4age by Molmil
MTSSL spin labeled D67C mutant of MscS in the open form
Descriptor: SMALL-CONDUCTANCE MECHANOSENSITIVE CHANNEL
Authors:Pliotas, C, Brannigan, E, Naismith, J.H.
Deposit date:2012-01-26
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.84 Å)
Cite:Conformational State of the Mscs Mechanosensitive Channel in Solution Revealed by Pulsed Electron-Electron Double Resonance (Peldor) Spectroscopy.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AIA
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BU of 4aia by Molmil
The structural basis of 3-methyladenine recognition by 3- methyladenine DNA glycosylase I (TAG) from Staphylococcus aureus
Descriptor: 3-METHYL-3H-PURIN-6-YLAMINE, DNA-3-METHYLADENINE GLYCOSYLASE I, SULFATE ION, ...
Authors:Yan, X, Naismith, J.H.
Deposit date:2012-02-08
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Model for 3-Methyladenine Recognition by 3-Methyladenine DNA Glycosylase I (Tag) from Staphylococcus Aureus.
Acta Crystallogr.,Sect.F, 68, 2012
4AAY
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BU of 4aay by Molmil
Crystal Structure of the arsenite oxidase protein complex from Rhizobium species strain NT-26
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, AROA, AROB, ...
Authors:Oke, M, Santini, J.M, Naismith, J.H.
Deposit date:2011-12-05
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Respiratory Arsenite Oxidase: Structure and the Role of Residues Surrounding the Rieske Cluster.
Plos One, 8, 2013
2BI8
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BU of 2bi8 by Molmil
udp-galactopyranose mutase from Klebsiella pneumoniae with reduced FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE
Authors:Beis, K, Srikannathasan, V, Naismith, J.H.
Deposit date:2005-01-20
Release date:2005-05-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures of Mycobacteria Tuberculosis and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the Oxidised State and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the (Active) Reduced State.
J.Mol.Biol., 348, 2005
2AQJ
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BU of 2aqj by Molmil
The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, TRYPTOPHAN, ...
Authors:Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.-H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2005-08-18
Release date:2005-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Science, 309, 2005
2AR8
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BU of 2ar8 by Molmil
The structure of tryptophan 7-halogenase (PrnA)suggests a mechanism for regioselective chlorination
Descriptor: 7-CHLOROTRYPTOPHAN, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2005-08-19
Release date:2005-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Science, 309, 2005
2ARD
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BU of 2ard by Molmil
The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, tryptophan halogenase PrnA
Authors:Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2005-08-19
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Science, 309, 2005
2APG
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BU of 2apg by Molmil
The structure of tryptophan 7-halogenase (PrnA)suggests a mechanism for regioselective chlorination
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2005-08-16
Release date:2005-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Science, 309, 2005
6GI0
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BU of 6gi0 by Molmil
Crystal structure of the ferric enterobactin esterase (PfeE) from Pseudomonas aeruginosa
Descriptor: Ferric enterobactin esterase, NITRATE ION
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-05-09
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa.
ACS Chem. Biol., 13, 2018
6H7V
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BU of 6h7v by Molmil
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, Ligand-gated channel protein
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-07-31
Release date:2018-10-10
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
6HCP
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BU of 6hcp by Molmil
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, BauA, ...
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-08-16
Release date:2018-10-10
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
6I2J
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BU of 6i2j by Molmil
Crystal structure of the ferric enterobactin receptor mutant (Q482A) from Pseudomonas aeruginosa (PfeA) in complex with enterobactin
Descriptor: FE (III) ION, Ferric enterobactin receptor, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-11-01
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
6INF
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BU of 6inf by Molmil
a glycosyltransferase complex with UDP
Descriptor: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Zhu, X, Yang, T, Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6H7F
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BU of 6h7f by Molmil
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii in complex with Fe3+-Preacinetobactin-acinetobactin
Descriptor: (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, ...
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-07-31
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
6INI
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BU of 6ini by Molmil
a glycosyltransferase complex with UDP and the product
Descriptor: (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhu, X, Yang, T, Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6GEW
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BU of 6gew by Molmil
OphA Y63F-sinefungin complex
Descriptor: OphA, S-ADENOSYL-L-HOMOCYSTEINE, SINEFUNGIN
Authors:Song, H, Naismith, J.H.
Deposit date:2018-04-27
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
6ING
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BU of 6ing by Molmil
A complex structure of H25A mutant of glycosyltransferase with UDP
Descriptor: GLYCEROL, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Zhu, X, Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
1G0R
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BU of 1g0r by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). THYMIDINE/GLUCOSE-1-PHOSPHATE COMPLEX.
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION, ...
Authors:Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
Deposit date:2000-10-07
Release date:2000-12-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1G3L
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BU of 1g3l by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TDP-L-RHAMNOSE COMPLEX.
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION
Authors:Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
Deposit date:2000-10-24
Release date:2000-12-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1G23
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BU of 1g23 by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). GLUCOSE-1-PHOSPHATE COMPLEX.
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION
Authors:Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
Deposit date:2000-10-16
Release date:2000-12-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1FXO
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BU of 1fxo by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TMP COMPLEX.
Descriptor: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION, THYMIDINE-5'-PHOSPHATE
Authors:Blankenfeldt, W, Lam, J.S, Naismith, J.H.
Deposit date:2000-09-26
Release date:2000-12-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1FZW
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BU of 1fzw by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). APO ENZYME.
Descriptor: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION
Authors:Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
Deposit date:2000-10-04
Release date:2000-12-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1G1A
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BU of 1g1a by Molmil
THE CRYSTAL STRUCTURE OF DTDP-D-GLUCOSE 4,6-DEHYDRATASE (RMLB)FROM SALMONELLA ENTERICA SEROVAR TYPHIMURIUM
Descriptor: DTDP-D-GLUCOSE 4,6-DEHYDRATASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Allard, S.T.M, Giraud, M.-F, Whitfield, C, Graninger, M, Messner, P, Naismith, J.H.
Deposit date:2000-10-11
Release date:2001-03-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:The crystal structure of dTDP-D-Glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium, the second enzyme in the dTDP-l-rhamnose pathway.
J.Mol.Biol., 307, 2001
1G2V
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BU of 1g2v by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TTP COMPLEX.
Descriptor: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, THYMIDINE-5'-TRIPHOSPHATE
Authors:Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
Deposit date:2000-10-21
Release date:2000-12-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000

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