5RTT
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830 | | Descriptor: | 3-(1-methyl-1H-indol-3-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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5RUN
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295 | | Descriptor: | 3-(1H-benzimidazol-1-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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6AIM
 | | Cab2 mutant H337A complex with phosphopantothenate-cysteine | | Descriptor: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine, Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-24 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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6AI9
 | | Cab2 mutant-H337A complex with phosphopantothenate | | Descriptor: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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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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1Y4L
 | | Crystal structure of Bothrops asper myotoxin II complexed with the anti-trypanosomal drug suramin | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, ISOPROPYL ALCOHOL, ... | | Authors: | Murakami, M.T, Arruda, E.Z, Melo, P.A, Martinez, A.B, Calil-Elias, S, Tomaz, M.A, Lomonte, B, Gutierrez, J.M, Arni, R.K. | | Deposit date: | 2004-12-01 | | Release date: | 2005-06-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Myotoxic Activity of Bothrops asper Myotoxin II by the Anti-trypanosomal Drug Suramin.
J.Mol.Biol., 350, 2005
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2C21
 | | Specificity of the Trypanothione-dependednt Leishmania major Glyoxalase I: Structure and biochemical comparison with the human enzyme | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, ... | | Authors: | Ariza, A, Vickers, T.J, Greig, N, Armour, K.A, Eggleston, I.M, Fairlamb, A.H, Bond, C.S. | | Deposit date: | 2005-09-23 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Specificity of the Trypanothione-Dependent Leishmania Major Glyoxalase I: Structure and Biochemical Comparison with the Human Enzyme.
Mol.Microbiol., 59, 2006
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1WXJ
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1P9O
 | | Crystal Structure of Phosphopantothenoylcysteine Synthetase | | Descriptor: | Phosphopantothenoylcysteine synthetase, SULFATE ION | | Authors: | Manoj, N, Strauss, E, Begley, T.P, Ealick, S.E. | | Deposit date: | 2003-05-12 | | Release date: | 2003-09-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of human phosphopantothenoylcysteine synthetase at 2.3 A resolution.
Structure, 11, 2003
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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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1O73
 | | Tryparedoxin from Trypanosoma brucei | | Descriptor: | TRYPAREDOXIN | | Authors: | Gabrielsen, M, Alphey, M.S, Bond, C.S, Hunter, W.N. | | Deposit date: | 2002-10-23 | | Release date: | 2003-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function
J.Biol.Chem., 278, 2003
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7BBH
 | | Structure of Coronavirus Spike from Smuggled Guangdong Pangolin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Surface glycoprotein | | Authors: | Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-12-17 | | Release date: | 2020-12-30 | | Last modified: | 2021-02-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure and binding properties of Pangolin-CoV spike glycoprotein inform the evolution of SARS-CoV-2.
Nat Commun, 12, 2021
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1K3T
 | | Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma cruzi Complexed with Chalepin, a Coumarin Derivative Inhibitor | | Descriptor: | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE, Glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Pavao, F. | | Deposit date: | 2001-10-04 | | Release date: | 2002-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase complexed with chalepin, a natural product inhibitor, at 1.95 A resolution.
FEBS Lett., 520, 2002
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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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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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5XFV
 | | Crystal structures of FMN-bound form of dihydroorotate dehydrogenase from Trypanosoma brucei | | Descriptor: | Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, MALONATE ION | | Authors: | Kubota, T, Tani, O, Yamaguchi, T, Namatame, I, Sakashita, H, Furukawa, K, Yamasaki, K. | | Deposit date: | 2017-04-11 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structures of FMN-bound and FMN-free forms of dihydroorotate dehydrogenase fromTrypanosoma brucei.
FEBS Open Bio, 8, 2018
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1PJW
 | | Solution Structure of the Domain III of the Japan Encephalitis Virus Envelope Protein | | Descriptor: | envelope protein | | Authors: | Wu, K.P, Wu, C.W, Tsao, Y.P, Lou, Y.C, Lin, C.W. | | Deposit date: | 2003-06-04 | | Release date: | 2003-11-25 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of a Flavivirus Recognized by Its Neutralizing Antibody: SOLUTION STRUCTURE OF THE DOMAIN III OF THE JAPANESE ENCEPHALITIS VIRUS ENVELOPE PROTEIN.
J.Biol.Chem., 278, 2003
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1OGK
 | | The crystal structure of Trypanosoma cruzi dUTPase in complex with dUDP | | Descriptor: | DEOXYURIDINE TRIPHOSPHATASE, DEOXYURIDINE-5'-DIPHOSPHATE | | Authors: | Harkiolaki, M, Dodson, E.J, Bernier-Villamor, V, Turkenburg, J.P, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2003-05-07 | | Release date: | 2004-01-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The Crystal Structure of Trypanosoma Cruzi Dutpase Reveals a Novel Dutp/Dudp Binding Fold
Structure, 12, 2004
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1OGL
 | | The crystal structure of native Trypanosoma cruzi dUTPase | | Descriptor: | DEOXYURIDINE TRIPHOSPHATASE | | Authors: | Harkiolaki, M, Dodson, E.J, Bernier-Villamor, V, Turkenburg, J.P, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2003-05-07 | | Release date: | 2004-01-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Crystal Structure of Trypanosoma Cruzi Dutpase Reveals a Novel Dutp/Dudp Binding Fold
Structure, 12, 2004
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3G1Q
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in ligand free state | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase | | Authors: | Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R, Park, H. | | Deposit date: | 2009-01-30 | | Release date: | 2009-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
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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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7AP1
 | | Klebsiella pneumoniae Seryl-tRNA synthetase in Complex with Compound SerS7HMDDA | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Serine-tRNA ligase, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-10-15 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
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7C43
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7C4C
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7C4B
 | | The crystal structure of Trypanosoma brucei RNase D : UMP complex | | Descriptor: | CCHC-type domain-containing protein, MANGANESE (II) ION, URIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Gao, Y.Q, Gan, J.H. | | Deposit date: | 2020-05-15 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
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