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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
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
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
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
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
2IYD
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BU of 2iyd by Molmil
SENP1 covalent complex with SUMO-2
Descriptor: SENTRIN-SPECIFIC PROTEASE 1, SMALL UBIQUITIN-RELATED MODIFIER 2
Authors:Dong, C, Naismith, J.H.
Deposit date:2006-07-14
Release date:2006-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Senp1 Native Structure
To be Published
2IYC
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BU of 2iyc by Molmil
SENP1 native structure
Descriptor: SENTRIN-SPECIFIC PROTEASE 1
Authors:Dong, C, Naismith, J.H.
Deposit date:2006-07-14
Release date:2006-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Senp1 Native Structure
To be Published
6TSC
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BU of 6tsc by Molmil
OphMA I407P complex with SAH
Descriptor: GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-VAL-PRO-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2019-12-20
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
1NYW
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BU of 1nyw by Molmil
The high resolution structures of RmlC from Streptoccus suis in complex with dTDP-D-glucose
Descriptor: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
Authors:Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
Deposit date:2003-02-14
Release date:2003-06-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
1NZC
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BU of 1nzc by Molmil
The high resolution structures of RmlC from Streptococcus suis in complex with dTDP-D-xylose
Descriptor: NICKEL (II) ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
Authors:Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
Deposit date:2003-02-17
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
1PM7
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BU of 1pm7 by Molmil
RmlC (dTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE)STRUCTURE FROM MYCOBACTERIUM TUBERCULOSIS AND INHIBITOR DESIGN. THE APO STRUCTURE.
Descriptor: ACETATE ION, GLYCEROL, RFBC
Authors:Dong, C, Naismith, J.H, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-06-10
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel inhibitors of an emerging target in Mycobacterium tuberculosis; substituted thiazolidinones as inhibitors of dTDP-rhamnose synthesis.
Bioorg.Med.Chem.Lett., 13, 2003
2JKC
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BU of 2jkc by Molmil
Crystal Structure of E346D of Tryptophan 7-Halogenase (PrnA)
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ...
Authors:Zhu, X, Naismith, J.H.
Deposit date:2008-08-26
Release date:2008-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:New insights into the mechanism of enzymatic chlorination of tryptophan.
Angew. Chem. Int. Ed. Engl., 47, 2008
1OC2
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BU of 1oc2 by Molmil
The structure of NADH in the dTDP-D-glucose dehydratase (RmlB) enzyme
Descriptor: DTDP-GLUCOSE 4,6-DEHYDRATASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Beis, K, Naismith, J.H.
Deposit date:2003-02-04
Release date:2003-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Structure of Nadh in the Enzyme Dtdp-D-Glucose Dehydratase (Rmlb)
J.Am.Chem.Soc., 125, 2003
1NXM
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BU of 1nxm by Molmil
The high resolution structures of RmlC from Streptococcus suis
Descriptor: dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
Authors:Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
Deposit date:2003-02-11
Release date:2003-06-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
1OFN
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BU of 1ofn by Molmil
Purification, crystallisation and preliminary structural studies of dTDP-4-keto-6-deoxy-glucose-5-epimerase (EvaD) from Amycolatopsis orientalis; the fourth enzyme in the dTDP-L-epivancosamine biosynthetic pathway.
Descriptor: GLYCEROL, PCZA361.16
Authors:Merkel, A.B, Naismith, J.H.
Deposit date:2003-04-17
Release date:2004-04-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Purification, Crystallization and Preliminary Structural Studies of Dtdp-4-Keto-6-Deoxy-Glucose-5-Epimerase (Evad) from Amycolatopsis Orientalis, the Fourth Enzyme in the Dtdp-L-Epivancosamine Biosynthetic Pathway.
Acta Crystallogr.,Sect.D, 58, 2002
7BKA
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BU of 7bka by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD01870824
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, 4-ethylbenzenesulfonamide, DIMETHYL SULFOXIDE
Authors:Moynie, L, Naismith, J.H.
Deposit date:2021-01-15
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa
To Be Published
7BHJ
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BU of 7bhj by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00084774
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, ~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine
Authors:Moynie, L, Naismith, J.H.
Deposit date:2021-01-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas aeruginosa in complex with DDD00084774
To Be Published
5M9B
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BU of 5m9b by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Ferric enterobactin receptor
Authors:Moynie, L, Naismith, J.H.
Deposit date:2016-11-01
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
5N0V
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BU of 5n0v by Molmil
Crystal structure of OphA-DeltaC6 mutant Y76F in complex with SAH
Descriptor: Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5N4B
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BU of 5n4b by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - S577A mutant
Descriptor: Alpha-amanitin proprotein, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5MZS
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BU of 5mzs by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) mutant (R480A_Q482A) from Pseudomonas aeruginosa
Descriptor: Ferric enterobactin receptor
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-02-01
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
5N4E
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BU of 5n4e by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - H698A mutant
Descriptor: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5NJN
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BU of 5njn by Molmil
Roll out the beta-barrel: structure and mechanism of Pac13, a unique nucleoside dehydratase
Descriptor: Putative cupin_2 domain-containing isomerase
Authors:Michailidou, F, Bent, A.F, Naismith, J.H, Goss, R.J.M.
Deposit date:2017-03-29
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NC3
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BU of 5nc3 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with the tris-catechol vector
Descriptor: FE (III) ION, Ferric enterobactin receptor, ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-03-03
Release date:2018-03-21
Last modified:2022-08-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
5N0W
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BU of 5n0w by Molmil
Crystal structure of OphA-DeltaC6 mutant R72A in complex with SAM
Descriptor: GLYCEROL, Peptide N-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018

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數據於2024-06-12公開中

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