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PDB: 429 件
5N0N
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Crystal structure of OphA-DeltaC6 mutant Y63F in complex with SAM
分子名称: MAGNESIUM ION, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Song, H, Naismith, J.H.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5N0U
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BU of 5n0u by Molmil
Crystal structure of OphA-DeltaC6 mutant R72A in complex with SAH
分子名称: MAGNESIUM ION, Peptide N-Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Song, H, Naismith, J.H.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5O3X
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BU of 5o3x by Molmil
Structural characterization of the fast and promiscuous macrocyclase from plant - apo PCY1
分子名称: CACODYLATE ION, Peptide cyclase 1
著者Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H.
登録日2017-05-25
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
5N0S
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Crystal structure of OphA-DeltaC6 mutant Y98A in complex with SAM
分子名称: MALONATE ION, Peptide N-methyltransferase, S-ADENOSYLMETHIONINE
著者Song, H, Naismith, J.H.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5N0X
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Crystal structure of OphA-DeltaC6 in complex with SAM
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Peptide N-Methyltransferase, ...
著者Song, H, Naismith, J.H.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
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
分子名称: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
著者Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
登録日2017-02-10
公開日2017-11-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5N0W
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BU of 5n0w by Molmil
Crystal structure of OphA-DeltaC6 mutant R72A in complex with SAM
分子名称: GLYCEROL, Peptide N-methyltransferase, S-ADENOSYLMETHIONINE
著者Song, H, Naismith, J.H.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5NEC
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Crystal structure of the siderophore receptor PiuD from Pseudomonas aeruginosa
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, TonB-dependent siderophore receptor
著者Moynie, L, Naismith, J.H.
登録日2017-03-10
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献TonB-Dependent Receptor Repertoire of Pseudomonas aeruginosa for Uptake of Siderophore-Drug Conjugates.
Antimicrob. Agents Chemother., 62, 2018
4B7X
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Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa.
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROBABLE OXIDOREDUCTASE
著者Alphey, M.S, McMahon, S.A, Duthie, F, Naismith, J.H.
登録日2012-08-24
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
4B0J
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BU of 4b0j by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 5-(2- thienyl)-3-isoxazolyl methanol
分子名称: (5-thiophen-2-ylisoxazol-3-yl)methanol, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE
著者Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H.
登録日2012-07-02
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonas Aeruginosa
J.Mol.Biol., 425, 2013
3ZXX
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BU of 3zxx by Molmil
Structure of self-cleaved protease domain of PatA
分子名称: SUBTILISIN-LIKE PROTEIN
著者Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H.
登録日2011-08-16
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
4B0I
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BU of 4b0i by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) mutant (H70N) from Pseudomonas aeruginosa in complex with 3-hydroxydecanoyl-N-acetyl cysteamine
分子名称: 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate
著者Moynie, L, McMahon, S.A, Leckie, S.M, Duthie, F.G, Koehnke, A, Naismith, J.H.
登録日2012-07-02
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonas Aeruginosa
J.Mol.Biol., 425, 2013
4B8U
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BU of 4b8u by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N- isobutyl-2-(5-(2-thienyl)-1,2-oxazol-3-yl-)methoxy)acetamide
分子名称: 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide, SULFATE ION
著者Moynie, L, McMahon, S.A, Duthie, F.G, Brenk, R, Naismith, J.H.
登録日2012-08-30
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
4B0B
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BU of 4b0b by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pyridin-2-yloxy)aniline
分子名称: 3-(pyridin-2-yloxy)aniline, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE
著者Moynie, L, McMahon, S.A, Duthie, F.G, Taylor, J.W, Naismith, J.H.
登録日2012-07-01
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
4B7C
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BU of 4b7c by Molmil
Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROBABLE OXIDOREDUCTASE
著者Alphey, M.S, McMahon, S.A, Duthie, F.G, Naismith, J.H.
登録日2012-08-17
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
4AAY
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BU of 4aay by Molmil
Crystal Structure of the arsenite oxidase protein complex from Rhizobium species strain NT-26
分子名称: 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, ...
著者Oke, M, Santini, J.M, Naismith, J.H.
登録日2011-12-05
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Respiratory Arsenite Oxidase: Structure and the Role of Residues Surrounding the Rieske Cluster.
Plos One, 8, 2013
4B0C
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Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pentylthio)-4H-1,2,4-triazole
分子名称: 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, 5-(pentylsulfanyl)-1H-1,2,4-triazole
著者Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H.
登録日2012-07-01
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
4AKS
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BU of 4aks by Molmil
PatG macrocyclase domain
分子名称: THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE
著者Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H.
登録日2012-02-28
公開日2012-07-18
最終更新日2013-11-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
3ZXY
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BU of 3zxy by Molmil
Structure of S218A mutant of the protease domain of PatA
分子名称: SUBTILISIN-LIKE PROTEIN
著者Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H.
登録日2011-08-16
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
4AKT
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BU of 4akt by Molmil
PatG macrocyclase in complex with peptide
分子名称: SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE
著者Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H.
登録日2012-02-28
公開日2012-07-18
最終更新日2013-11-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
4CL6
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Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine
分子名称: 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
著者Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H.
登録日2014-01-13
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba.
J.Mol.Biol., 428, 2016
4B3U
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Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-07-26
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B4B
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Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-07-30
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B42
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Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-07-27
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.505 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4AI5
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Crystal structure of Y16F of 3-methyladenine DNA glycosylase I (TAG) in complex with 3-methyladenine
分子名称: 3-METHYL-3H-PURIN-6-YLAMINE, DNA-3-METHYLADENINE GLYCOSYLASE I, SULFATE ION, ...
著者Zhu, X, Naismith, J.H.
登録日2012-02-08
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献A Model for 3-Methyladenine Recognition by 3-Methyladenine DNA Glycosylase I (Tag) from Staphylococcus Aureus.
Acta Crystallogr.,Sect.F, 68, 2012

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