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PDB: 425 results

1G3L
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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
2JKC
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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
2APG
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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
8B72
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Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, DIMETHYL SULFOXIDE, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE
Authors:Robinson, D.A, Moynie, L, Naismith, J.H, Gray, D.W.
Deposit date:2022-09-28
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828
To Be Published
1NXM
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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
1OC2
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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
1KET
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The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with thymidine diphosphate bound
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, dTDP-D-glucose 4,6-dehydratase
Authors:Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H.
Deposit date:2001-11-17
Release date:2002-01-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1KEU
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The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with dTDP-D-glucose bound
Descriptor: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, dTDP-D-glucose 4,6-dehydratase
Authors:Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H.
Deposit date:2001-11-17
Release date:2002-01-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1KEP
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The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-xylose bound
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, ...
Authors:Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H.
Deposit date:2001-11-16
Release date:2002-01-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1OFN
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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
1KER
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The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-D-glucose bound
Descriptor: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H.
Deposit date:2001-11-17
Release date:2002-01-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1NYW
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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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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
1I3H
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CONCANAVALIN A-DIMANNOSE STRUCTURE
Descriptor: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
Authors:Sanders, D.A.R, Moothoo, D.N, Raftery, J, Howard, A.J, Helliwell, J.R, Naismith, J.H.
Deposit date:2001-02-15
Release date:2001-07-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The 1.2 A resolution structure of the Con A-dimannose complex.
J.Mol.Biol., 310, 2001
1KEW
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The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, ...
Authors:Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H.
Deposit date:2001-11-17
Release date:2002-01-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1PM7
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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
6R00
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OphA DeltaC6 V404F complex with SAH
Descriptor: PHE-PRO-TRP-MVA-ILE-MVA-PHE-GLY-VAL-ILE-GLY-VAL-ILE-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6QZY
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full length OphA V406P in complex with SAH
Descriptor: ASN-GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-PRO-ILE-GLY, MAGNESIUM ION, Peptide N-methyltransferase, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6QZZ
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full length OphA V404E in complex with SAH
Descriptor: Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
5M9B
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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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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
5MZS
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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:2024-10-23
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
5N4B
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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
5N4E
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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
5NC3
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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

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