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2O2D
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Crystal structure of phosphoglucose isomerase from Trypanosoma brucei complexed with citrate
分子名称: CITRIC ACID, GLYCEROL, Glucose-6-phosphate isomerase, ...
著者Arsenieva, D, Mazock, G.H, Appavu, B.L, Jeffery, C.J.
登録日2006-11-29
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of phosphoglucose isomerase from Trypanosoma brucei complexed with glucose-6-phosphate at 1.6 A resolution
Proteins, 74, 2008
4CJX
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The crystal structure of Trypanosoma brucei N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor
分子名称: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, C-1-TETRAHYDROFOLATE SYNTHASE, CYTOPLASMIC, ...
著者Eadsforth, T.C, Hunter, W.N.
登録日2013-12-23
公開日2015-02-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Characterization of 2,4-Diamino-6-Oxo-1,6-Dihydropyrimidin-5-Yl Ureido Based Inhibitors of Trypanosoma Brucei Fold and Testing for Antiparasitic Activity.
J.Med.Chem., 58, 2015
8IWQ
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BU of 8iwq by Molmil
Pseudomoans Aerugiona Native Ketopantoate Reductase with glycerol
分子名称: 2-dehydropantoate 2-reductase, GLYCEROL
著者Choudhury, G.B, Datta, S.
登録日2023-03-30
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献Ketopantoate reductase
To Be Published
8IWG
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Pseudomoans Aerugiona Wildtype Ketopantoate Reductase native structure
分子名称: 2-dehydropantoate 2-reductase, GLYCEROL
著者Choudhury, G.B, Datta, S.
登録日2023-03-29
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献KEtopantoate reductase of Pseudomonas
To Be Published
8IX9
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Pseudomoans Aerugiona Wildtype Ketopantoate Reductase with NADPH
分子名称: 2-dehydropantoate 2-reductase, FORMIC ACID, GLYCEROL, ...
著者Choudhury, G.B, Datta, S.
登録日2023-03-31
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献KEtopantoate reductase of Pseudomonas
To Be Published
1HOZ
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BU of 1hoz by Molmil
CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX
分子名称: CALCIUM ION, GLYCEROL, INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE
著者Versees, W, Decanniere, K, Pelle, R, Depoorter, J, Parkin, D.W, Steyaert, J.
登録日2000-12-12
公開日2001-12-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax.
J.Mol.Biol., 307, 2001
6SPT
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BU of 6spt by Molmil
High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity
分子名称: 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Napolitano, V, Dawidowski, M, Kalel, V.C, Fino, R, Emmanouilidis, L, Lenhart, D, Ostertag, M, Kaiser, M, Kolonko, M, Schilebs, W, Maser, P, Tetko, I, Hadian, K, Plettenburg, O, Erdmann, R, Sattler, M, Popowicz, G.M, Dubin, G.
登録日2019-09-02
公開日2020-01-01
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity.
J.Med.Chem., 63, 2020
5Q1R
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PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000291a
分子名称: 3-(azepan-1-ylmethyl)-1~{H}-indole, DNA cross-link repair 1A protein, MALONATE ION, ...
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-15
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献PanDDA analysis group deposition
To Be Published
1NDA
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BU of 1nda by Molmil
THE STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN THE OXIDIZED AND NADPH REDUCED STATE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE OXIDOREDUCTASE
著者Lantwin, C.B, Kabsch, W, Pai, E.F, Schlichting, I, Krauth-Siegel, R.L.
登録日1993-07-02
公開日1994-09-30
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The structure of Trypanosoma cruzi trypanothione reductase in the oxidized and NADPH reduced state.
Proteins, 18, 1994
5QIE
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BU of 5qie by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2856434894
分子名称: FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
著者MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
登録日2018-05-22
公開日2018-07-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QOS
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BU of 5qos by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1187701032
分子名称: (3S)-N-(pyrimidin-2-yl)azepan-3-amine, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QJM
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BU of 5qjm by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z328695024
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5KMX
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BU of 5kmx by Molmil
Structure of Trypanosoma congolense Insect Stage Antigen
分子名称: GLYCEROL, Putative uncharacterized protein TCIL3000_10_9440, SULFATE ION
著者Ramaswamy, R, Parker, M.L, Boulanger, M.J.
登録日2016-06-27
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.452 Å)
主引用文献Structural characterization reveals a novel bilobed architecture for the ectodomains of insect stage expressed Trypanosoma brucei PSSA-2 and Trypanosoma congolense ISA.
Protein Sci., 25, 2016
5L8C
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BU of 5l8c by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039
分子名称: 4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Singh, A.K, Anthonyrajah, E.S, Brown, D.G.
登録日2016-06-07
公開日2018-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
4MXR
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BU of 4mxr by Molmil
Crystal structure of Trypanosoma cruzi formiminoglutamase with Mn2+2
分子名称: Formiminoglutamase, GLYCEROL, MANGANESE (II) ION
著者Hai, Y, Dugery, R.-J, Healy, D, Christianson, D.W.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Formiminoglutamase from trypanosoma cruzi is an arginase-like manganese metalloenzyme.
Biochemistry, 52, 2013
5L9H
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BU of 5l9h by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340
分子名称: 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one, FORMIC ACID, GLYCEROL, ...
著者Singh, A.K, Brown, D.G.
登録日2016-06-10
公開日2018-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
5K4U
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BU of 5k4u by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei showing different active site loop conformations between dimer subunits, refined to 1.9 angstroms
分子名称: ACETATE ION, GLYCEROL, L-threonine 3-dehydrogenase, ...
著者Adjogatse, E.K, Cooper, J.B, Erskine, P.T.
登録日2016-05-22
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5K4Q
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BU of 5k4q by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.3 angstroms
分子名称: GLYCEROL, L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Adjogatse, E.K, Cooper, J.B, Erskine, P.T.
登録日2016-05-21
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5K4T
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BU of 5k4t by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 2.1 angstroms
分子名称: GLYCEROL, L-threonine 3-dehydrogenase
著者Adjogatse, E.K, Cooper, J.B, Erskine, P.T.
登録日2016-05-22
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5K4V
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BU of 5k4v by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.2 angstroms
分子名称: ACETATE ION, GLYCEROL, L-threonine 3-dehydrogenase, ...
著者Adjogatse, E.A, Erskine, P.T, Cooper, J.B.
登録日2016-05-22
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5K4Y
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Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 1.77 angstroms
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Adjogatse, E.A, Erskine, P.T, Cooper, J.B.
登録日2016-05-22
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5K50
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Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 angstroms
分子名称: ACETATE ION, ALLO-THREONINE, GLYCEROL, ...
著者Adjogatse, E.A, Erskine, P.T, Cooper, J.B.
登録日2016-05-22
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5QRC
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PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31721798
分子名称: 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5K4W
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Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NADH and L-threonine refined to 1.72 angstroms
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-threonine 3-dehydrogenase, ...
著者Adjogatse, E.A, Erskine, P.T, Cooper, J.B.
登録日2016-05-22
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
6FLO
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Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma brucei at 2.1 Angstrom resolution
分子名称: GLYCEROL, INOSINE, Protein kinase A regulatory subunit
著者Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M.
登録日2018-01-26
公開日2019-08-14
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.13868666 Å)
主引用文献Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens.
Elife, 12, 2024

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