5RTI
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237 | | Descriptor: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5RUM
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082 | | Descriptor: | 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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1WXJ
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2C7V
 | | Structure of Trypanosoma brucei pteridine reductase (PTR1) in ternary complex with cofactor and the antifolate methotrexate | | Descriptor: | ACETATE ION, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Dawson, A, Gibellini, F, Sienkiewicz, N, Fyfe, P.K, McLuskey, K, Fairlamb, A.H, Hunter, W.N. | | Deposit date: | 2005-11-29 | | Release date: | 2006-09-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Reactivity of Trypanosoma Brucei Pteridine Reductase: Inhibition by the Archetypal Antifolate Methotrexate
Mol.Microbiol., 61, 2006
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1KIE
 | | Inosine-adenosine-guanosine preferring nucleoside hydrolase from Trypanosoma vivax: Asp10Ala mutant in complex with 3-deaza-adenosine | | Descriptor: | 3-DEAZA-ADENOSINE, CALCIUM ION, NICKEL (II) ION, ... | | Authors: | Versees, W, Decanniere, K, Van Holsbeke, E, Devroede, N, Steyaert, J. | | Deposit date: | 2001-12-03 | | Release date: | 2002-05-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enzyme-substrate interactions in the purine-specific nucleoside hydrolase from Trypanosoma vivax.
J.Biol.Chem., 277, 2002
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6APU
 | | Crystal structure of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltranferase in complex with (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid | | Descriptor: | (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid, DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, ... | | Authors: | Teran, D, Guddat, L. | | Deposit date: | 2017-08-18 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.842 Å) | | Cite: | Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
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6MD3
 | | Structure of T. brucei RRP44 PIN domain | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Rrp44p homologue, ... | | Authors: | Guimaraes, B.G, Cesaro, G. | | Deposit date: | 2018-09-03 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Trypanosoma brucei RRP44 is involved in an early stage of large ribosomal subunit RNA maturation.
RNA Biol, 16, 2019
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5YH7
 | | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.0 A resolution | | Descriptor: | COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION | | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2017-09-27 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural and binding studies of phosphopantetheine adenylyl transferase from Acinetobacter baumannii.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
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3TLI
 | | THERMOLYSIN (10% ISOPROPANOL SOAKED CRYSTALS) | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | | Authors: | English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E. | | Deposit date: | 1998-10-28 | | Release date: | 2000-02-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol.
Proteins, 37, 1999
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1KIC
 | | Inosine-adenosine-guanosine preferring nucleoside hydrolase from Trypanosoma vivax: Asp10Ala mutant in complex with inosine | | Descriptor: | CALCIUM ION, INOSINE, NICKEL (II) ION, ... | | Authors: | Versees, W, Decanniere, K, Van Holsbeke, E, Devroede, N, Steyaert, J. | | Deposit date: | 2001-12-03 | | Release date: | 2002-05-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enzyme-substrate interactions in the purine-specific nucleoside hydrolase from Trypanosoma vivax.
J.Biol.Chem., 277, 2002
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6MXC
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6IZG
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3CVL
 | | Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Phosphofructokinase (PFK) PTS1 peptide | | Descriptor: | Peroxisome targeting signal 1 receptor PEX5, T. brucei PFK PTS1 peptide Ac-HEELAKL | | 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 (2.15 Å) | | Cite: | Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
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3SMP
 | | Monoclinic crystal structure of human pantothenate kinase 1 alpha | | Descriptor: | ACETYL COENZYME *A, ARSENIC, CHLORIDE ION, ... | | Authors: | Guan, X, Tempel, W, Hong, B, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Monoclinic crystal structure of human pantothenate kinase 1 alpha
to be published
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3CV0
 | | Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Phosphoglucoisomerase (PGI) PTS1 peptide | | Descriptor: | 1,2-ETHANEDIOL, Peroxisome targeting signal 1 receptor PEX5, T. brucei PGI PTS1 peptide Ac-FNELSHL | | Authors: | Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J. | | Deposit date: | 2008-04-17 | | Release date: | 2008-06-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
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3CVN
 | | Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) PTS1 peptide | | Descriptor: | 1,2-ETHANEDIOL, Peroxisome targeting signal 1 receptor, T. brucei GAPDH PTS1 peptide Ac-DRDAAKL | | 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 (2 Å) | | Cite: | Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
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3CVP
 | | Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to PTS1 peptide (10-SKL) | | Descriptor: | 10-SKL PTS1 peptide Ac-GTLSNRASKL, 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 (2 Å) | | Cite: | Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
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1HP0
 | | CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX IN COMPLEX WITH THE SUBSTRATE ANALOGUE 3-DEAZA-ADENOSINE | | Descriptor: | 3-DEAZA-ADENOSINE, CALCIUM ION, INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE | | Authors: | Versees, W, Decanniere, K, Pelle, R, Depoorter, J, Parkin, D.W, Steyaert, J. | | Deposit date: | 2000-12-12 | | Release date: | 2001-12-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax.
J.Mol.Biol., 307, 2001
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1HXI
 | | AN UNEXPECTED EXTENDED CONFORMATION FOR THE THIRD TPR MOTIF OF THE PEROXIN PEX5 FROM TRYPANOSOMA BRUCEI | | Descriptor: | MAGNESIUM ION, PEROXISOME TARGETING SIGNAL 1 RECEPTOR PEX5 | | Authors: | Kumar, A, Roach, C, Hirsh, I.S, Turley, S, deWalque, S, Michels, P.A.M, Hol, W.G.J. | | Deposit date: | 2001-01-15 | | Release date: | 2001-03-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An unexpected extended conformation for the third TPR motif of the peroxin PEX5 from Trypanosoma brucei.
J.Mol.Biol., 307, 2001
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5BRE
 | | Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN | | Descriptor: | 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose, Glucokinase 1, putative | | Authors: | D'Antonio, E.L, Perry, K, Deinema, M.S, Kearns, S.P, Frey, T.A. | | Deposit date: | 2015-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.
Mol.Biochem.Parasitol., 204, 2016
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5BRD
 | | Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor BENZ-GlcN | | Descriptor: | 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose, Glucokinase 1, putative | | Authors: | D'Antonio, E.L, Perry, K, Deinema, M.S, Kearns, S.P, Frey, T.A. | | Deposit date: | 2015-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.
Mol.Biochem.Parasitol., 204, 2016
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3B9G
 | | Crystal structure of loop deletion mutant of Trypanosoma vivax nucleoside hydrolase (3GTvNH) in complex with ImmH | | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, IAG-nucleoside hydrolase, ... | | Authors: | Vandemeulebroucke, A, De Vos, S, Van Holsbeke, E, Steyaert, J, Versees, W. | | Deposit date: | 2007-11-05 | | Release date: | 2008-04-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Flexible Loop as a Functional Element in the Catalytic Mechanism of Nucleoside Hydrolase from Trypanosoma vivax.
J.Biol.Chem., 283, 2008
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5BRH
 | | Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor DBT-GlcN | | Descriptor: | 2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-D-glucopyranose, Glucokinase 1, putative | | Authors: | D'Antonio, E.L, Perry, K, Deinema, M.S, Kearns, S.P, Frey, T.A. | | Deposit date: | 2015-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.
Mol.Biochem.Parasitol., 204, 2016
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3BJE
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5ZUH
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