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3BF1	Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate and ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, PANTOTHENOIC ACID, Type III pantothenate kinase Authors: Yang, K, Huerta, C, Strauss, E, Zhang, H. Deposit date: 2007-11-20 Release date: 2008-06-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase. Biochemistry, 47, 2008
6R9I	Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module Descriptor: PAN2-PAN3 deadenylation complex catalytic subunit PAN2 Authors: Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A. Deposit date: 2019-04-03 Release date: 2019-05-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3 Å) Cite: The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases. Nat.Struct.Mol.Biol., 26, 2019
5L9H	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 Descriptor: 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, ... Authors: Singh, A.K, Brown, D.G. Deposit date: 2016-06-10 Release date: 2018-03-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.25 Å) Cite: 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
5L8C	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039 Descriptor: 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, ... Authors: Singh, A.K, Anthonyrajah, E.S, Brown, D.G. Deposit date: 2016-06-07 Release date: 2018-03-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.01 Å) Cite: 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
5Q1R	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000291a Descriptor: 3-(azepan-1-ylmethyl)-1~{H}-indole, DNA cross-link repair 1A protein, MALONATE ION, ... Authors: 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. Deposit date: 2017-05-15 Release date: 2018-08-08 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.49 Å) Cite: PanDDA analysis group deposition To Be Published
5KMX	Structure of Trypanosoma congolense Insect Stage Antigen Descriptor: GLYCEROL, Putative uncharacterized protein TCIL3000_10_9440, SULFATE ION Authors: Ramaswamy, R, Parker, M.L, Boulanger, M.J. Deposit date: 2016-06-27 Release date: 2017-07-05 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.452 Å) Cite: 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
4BWX	Structure of Neurospora crassa PAN3 pseudokinase mutant Descriptor: MAGNESIUM ION, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN-3, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER Authors: Christie, M, Boland, A, Huntzinger, E, Weichenrieder, O, Izaurralde, E. Deposit date: 2013-07-04 Release date: 2013-08-21 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Structure of the Pan3 Pseudokinase Reveals the Basis for Interactions with the Pan2 Deadenylase and the Gw182 Proteins Mol.Cell, 51, 2013
4BWK	Structure of Neurospora crassa PAN3 pseudokinase Descriptor: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN-3, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER Authors: Christie, M, Boland, A, Huntzinger, E, Weichenrieder, O, Izaurralde, E. Deposit date: 2013-07-04 Release date: 2013-08-21 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Structure of the Pan3 Pseudokinase Reveals the Basis for Interactions with the Pan2 Deadenylase and the Gw182 Proteins Mol.Cell, 51, 2013
5K4T	Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 2.1 angstroms Descriptor: GLYCEROL, L-threonine 3-dehydrogenase Authors: Adjogatse, E.K, Cooper, J.B, Erskine, P.T. Deposit date: 2016-05-22 Release date: 2017-11-15 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: 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	Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.2 angstroms Descriptor: ACETATE ION, GLYCEROL, L-threonine 3-dehydrogenase, ... Authors: Adjogatse, E.A, Erskine, P.T, Cooper, J.B. Deposit date: 2016-05-22 Release date: 2017-11-15 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: 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	Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 1.77 angstroms Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ... Authors: Adjogatse, E.A, Erskine, P.T, Cooper, J.B. Deposit date: 2016-05-22 Release date: 2018-01-17 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.77 Å) Cite: 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	Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 angstroms Descriptor: ACETATE ION, ALLO-THREONINE, GLYCEROL, ... Authors: Adjogatse, E.A, Erskine, P.T, Cooper, J.B. Deposit date: 2016-05-22 Release date: 2017-11-15 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.26 Å) Cite: 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
1NDA	THE STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN THE OXIDIZED AND NADPH REDUCED STATE Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE OXIDOREDUCTASE Authors: Lantwin, C.B, Kabsch, W, Pai, E.F, Schlichting, I, Krauth-Siegel, R.L. Deposit date: 1993-07-02 Release date: 1994-09-30 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (3.3 Å) Cite: The structure of Trypanosoma cruzi trypanothione reductase in the oxidized and NADPH reduced state. Proteins, 18, 1994
2O2D	Crystal structure of phosphoglucose isomerase from Trypanosoma brucei complexed with citrate Descriptor: CITRIC ACID, GLYCEROL, Glucose-6-phosphate isomerase, ... Authors: Arsenieva, D, Mazock, G.H, Appavu, B.L, Jeffery, C.J. Deposit date: 2006-11-29 Release date: 2007-11-13 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of phosphoglucose isomerase from Trypanosoma brucei complexed with glucose-6-phosphate at 1.6 A resolution Proteins, 74, 2008
5RH6	PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011588 (Mpro-x2703) Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide Authors: Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. Deposit date: 2020-05-15 Release date: 2020-05-27 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
3H9D	Crystal Structure of Trypanosoma brucei ATG8 Descriptor: CALCIUM ION, Microtubule-associated protein 1A/1B, light chain 3, ... Authors: Koopmann, R, Muhammad, K, Perbandt, M, Betzel, C, Duszenko, M. Deposit date: 2009-04-30 Release date: 2009-10-06 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Trypanosoma brucei ATG8: structural insights into autophagic-like mechanisms in protozoa. Autophagy, 5, 2009
4QVH	Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein Descriptor: CITRATE ANION, COENZYME A, GLYCEROL, ... Authors: Jung, J, Bashiri, G, Johnston, J.M, Baker, E.N. Deposit date: 2014-07-15 Release date: 2014-12-17 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein. J.Struct.Biol., 188, 2014
4QIF	Crystal Structure of PduA with edge mutation K26A and pore mutation S40H Descriptor: D(-)-TARTARIC ACID, GLYCEROL, POTASSIUM ION, ... Authors: Pang, A.H, Sawaya, M.R, Yeates, T.O. Deposit date: 2014-05-30 Release date: 2015-02-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9951 Å) Cite: Selective molecular transport through the protein shell of a bacterial microcompartment organelle. Proc.Natl.Acad.Sci.USA, 112, 2015
3D30	Structure of an expansin like protein from Bacillus Subtilis at 1.9A resolution Descriptor: Expansin like protein, FORMIC ACID, GLYCEROL Authors: Kerff, F, Petrella, S, Herman, R, Sauvage, E, Joris, B, Charlier, P. Deposit date: 2008-05-09 Release date: 2008-10-14 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure and activity of Bacillus subtilis YoaJ (EXLX1), a bacterial expansin that promotes root colonization. Proc.Natl.Acad.Sci.USA, 105, 2008
4RUK	crystal structure of Phosphoapantetheine adenylyltransferase PPAT/CoaD with CoA and pyrophosphate from Pseudomonas aeruginosa Descriptor: ACETATE ION, CALCIUM ION, COENZYME A, ... Authors: Chatterjee, R, Datta, S. Deposit date: 2014-11-20 Release date: 2015-11-25 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa Biochim.Biophys.Acta, 1864, 2016
3CVQ	Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to PTS1 peptide (7-SKL) Descriptor: GLYCEROL, PTS1 peptide 7-SKL (Ac-SNRWSKL), Peroxisome targeting signal 1 receptor PEX5 Authors: Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J. Deposit date: 2008-04-18 Release date: 2008-06-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.01 Å) Cite: Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5. J.Mol.Biol., 381, 2008
5RKR	PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1432018343 Descriptor: (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol, PH-interacting protein Authors: Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. Deposit date: 2020-06-02 Release date: 2020-06-17 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.37 Å) Cite: PanDDA analysis group deposition of ground-state model To Be Published
5RKM	PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2017168803 Descriptor: (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol, PH-interacting protein Authors: Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. Deposit date: 2020-06-02 Release date: 2020-06-17 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.28 Å) Cite: PanDDA analysis group deposition of ground-state model To Be Published
4QIE	Crystal Structure of PduA with edge mutation K26D Descriptor: GLYCEROL, Propanediol utilization protein PduA, SULFATE ION Authors: Pang, A.H, Sawaya, M.R, Yeates, T.O. Deposit date: 2014-05-30 Release date: 2015-06-10 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3501 Å) Cite: Crystal Structure of PduA with edge mutation K26D To be Published
5RKE	PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z906021418 Descriptor: 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, PH-interacting protein Authors: Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. Deposit date: 2020-06-02 Release date: 2020-06-17 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.291 Å) Cite: PanDDA analysis group deposition of ground-state model To Be Published

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