1TPD
 
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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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4CK8
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-(4-(3,4- dichlorophenyl)piperazin-1-yl)phenylcarbamate (LFD) | | Descriptor: | (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-30 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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4CKA
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFS) | | Descriptor: | (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-31 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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1TPE
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6H4G
 | | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma brucei: E311A, T318R, V319A mutant bound to cAMP in the A site | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, INOSINE, Protein kinase A regulatory subunit | | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | | Deposit date: | 2018-07-21 | | Release date: | 2019-08-14 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.143517 Å) | | Cite: | Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens.
Elife, 12, 2024
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6HIZ
 | | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the head of the small mitoribosomal subunit | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (143-MER), ... | | Authors: | Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boehringer, A, Schneider, A, Ban, N. | | Deposit date: | 2018-08-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
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6HYI
 | | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.4 A resolution in complex with inosine | | Descriptor: | INOSINE, Protein kinase A regulatory subunit | | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | | Deposit date: | 2018-10-22 | | Release date: | 2019-11-13 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.39944851 Å) | | Cite: | Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens.
Elife, 12, 2024
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6RST
 | | TBK1 in complex with inhibitor compound 24 | | Descriptor: | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one, Serine/threonine-protein kinase TBK1 | | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | | Deposit date: | 2019-05-22 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
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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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6HIY
 | | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the body of the small mitoribosomal subunit in complex with mt-IF-3 | | Descriptor: | 9S rRNA, MAGNESIUM ION, SPERMIDINE, ... | | Authors: | Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2018-08-31 | | Release date: | 2018-09-26 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
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3GW9
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei bound to an inhibitor N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxaziazol-2-yl)benzamide | | Descriptor: | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE | | Authors: | Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R. | | Deposit date: | 2009-03-31 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.87 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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6HIW
 | | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the complete small mitoribosomal subunit in complex with mt-IF-3 | | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ramrath, D, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2018-08-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
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1TRD
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1TC1
 | | A 1.4 ANGSTROM CRYSTAL STRUCTURE FOR THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE OF TRYPANOSOMA CRUZI | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FORMYCIN B, PROTEIN (HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE) | | Authors: | Focia, P.J, Craig III, S.P, Nieves-Alicea, R, Fletterick, R.J, Eakin, A.E. | | Deposit date: | 1998-09-30 | | Release date: | 1999-10-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | A 1.4 A crystal structure for the hypoxanthine phosphoribosyltransferase of Trypanosoma cruzi.
Biochemistry, 37, 1998
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2FO8
 | | Solution structure of the Trypanosoma cruzi cysteine protease inhibitor chagasin | | Descriptor: | Chagasin | | Authors: | Salmon, D, do Aido-Machado, R, de Lima, A.A.P, Scharfstein, J, Oschkinat, H, Pires, J.R. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-04 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Backbone Dynamics of the Trypanosoma cruzi Cysteine Protease Inhibitor Chagasin
J.Mol.Biol., 357, 2006
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8GYP
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8GYT
 | | Cryo-EM structure of human Pannexin-3 R36S/F40R variant in pre-open state. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pannexin-3 | | Authors: | Cong, Y, Jin, X, Kong, F, Wu, T, Yan, C. | | Deposit date: | 2022-09-23 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Inner channel lipids regulated gating mechanism of human pannexins.
To Be Published
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8GYQ
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8GYO
 | | Inner channel lipids regulated gating mechanism of human pannexins. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, ... | | Authors: | Cong, Y, Jin, X, Kong, F, Yan, C. | | Deposit date: | 2022-09-23 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Inner channel lipids regulated gating mechanism of human pannexins.
To Be Published
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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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4LZ8
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6RSR
 | | TBK1 in complex with compound 2 | | Descriptor: | Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | | Deposit date: | 2019-05-22 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
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7TUV
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