7DWB
 
 | | Human Pannexin1 model | | Descriptor: | Pannexin-1 | | Authors: | Zhang, S.S, Yang, M.J. | | Deposit date: | 2021-01-17 | | Release date: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structure of the full-length human Pannexin1 channel and insights into its role in pyroptosis.
Cell Discov, 7, 2021
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8GTT
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8GTS
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3HHI
 | | Crystal Structure of Cathepsin B from T. brucei in complex with CA074 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cathepsin B-like cysteine protease, GLYCEROL, ... | | Authors: | Wu, P, Kerr, I.D, Brinen, L.S. | | Deposit date: | 2009-05-15 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of TbCatB and rhodesain, potential chemotherapeutic targets and major cysteine proteases of Trypanosoma brucei
Plos Negl Trop Dis, 4, 2010
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4UQH
 | | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | | Descriptor: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | | Authors: | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | | Deposit date: | 2014-06-23 | | Release date: | 2014-08-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
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7P6T
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | Deposit date: | 2021-07-17 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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6SU1
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1L1G
 | | The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol | | Descriptor: | BROMIDE ION, ELASTASE 1, GLYCEROL, ... | | Authors: | Panjikar, S, Tucker, P.A. | | Deposit date: | 2002-02-16 | | Release date: | 2002-08-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Xenon derivatization of halide-soaked protein crystals.
Acta Crystallogr.,Sect.D, 58, 2002
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2FHR
 | | Trypanosoma Rangeli Sialidase In Complex With 2,3- Difluorosialic Acid (Covalent Intermediate) | | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Amaya, M.F, Alzari, P.M, Buschiazzo, A. | | Deposit date: | 2005-12-26 | | Release date: | 2006-01-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase.
J.Biol.Chem., 281, 2006
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4C0C
 | | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | | Descriptor: | 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | | Deposit date: | 2013-08-01 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
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6AQO
 | | Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) | | Authors: | Teran, D, Gudday, L.W. | | Deposit date: | 2017-08-21 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.64 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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2WBA
 | | Properties of Trypanothione Reductase From T. brucei | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Jones, D, Ariza, A, Chow, W.H.A, Oza, S.L, Fairlamb, A.H. | | Deposit date: | 2009-02-24 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Comparative Structural, Kinetic and Inhibitor Studies of Trypanosoma Brucei Trypanothione Reductase with T. Cruzi.
Mol.Biochem.Parasitol., 169, 2010
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7T1H
 | | Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU281445 | | Descriptor: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, Pantothenate kinase CAB1 | | Authors: | Gihaz, S, Ben Mamoun, C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
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2A86
 | | Crystal structure of A Pantothenate synthetase complexed with AMP and beta-alanine | | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-ALANINE, ETHANOL, ... | | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-07-07 | | Release date: | 2006-02-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
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2A84
 | | Crystal structure of A Pantothenate synthetase complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-07-07 | | Release date: | 2006-02-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
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2A88
 | | Crystal structure of A Pantothenate synthetase, apo enzyme in C2 space group | | Descriptor: | GLYCEROL, Pantoate--beta-alanine ligase, SULFATE ION | | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-07-07 | | Release date: | 2006-02-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
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2A7X
 | | Crystal Structure of A Pantothenate synthetase complexed with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, Pantoate-beta-alanine ligase, ... | | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-07-06 | | Release date: | 2006-02-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
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2WP6
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00071494) | | Descriptor: | (4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-03 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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3M8Y
 | | Phosphopentomutase from Bacillus cereus after glucose-1,6-bisphosphate activation | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Panosian, T.D, Nannemann, D.P, Watkins, G, Wadzinski, B, Bachmann, B.O, Iverson, T.M. | | Deposit date: | 2010-03-19 | | Release date: | 2010-12-29 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle.
J.Biol.Chem., 286, 2011
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3M8Z
 | | Phosphopentomutase from Bacillus cereus bound with ribose-5-phosphate | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ... | | Authors: | Panosian, T.D, Nannemann, D.P, Watkins, G, Wadzinski, B, Bachmann, B.O, Iverson, T.M. | | Deposit date: | 2010-03-19 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle.
J.Biol.Chem., 286, 2011
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2AH2
 | | Trypanosoma cruzi trans-sialidase in complex with 2,3-difluorosialic acid (covalent intermediate) | | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M. | | Deposit date: | 2005-07-27 | | Release date: | 2005-08-23 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase
Structure, 12, 2004
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2WPC
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357) | | Descriptor: | (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-05 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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2WPE
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-06 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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2WP5
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00065414) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-03 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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3DWC
 | | Trypanosoma Cruzi Metallocarboxypeptidase 1 | | Descriptor: | ALANINE, COBALT (II) ION, GLYCEROL, ... | | Authors: | Niemirowicz, G, Fernandez, D, Sola, M, Cazzulo, J.J, Aviles, F.X, Gomis-Ruth, F.X. | | Deposit date: | 2008-07-22 | | Release date: | 2008-09-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The molecular analysis of Trypanosoma cruzi metallocarboxypeptidase 1 provides insight into fold and substrate specificity
Mol.Microbiol., 70, 2008
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