7NVP
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![BU of 7nvp by Molmil](/molmil-images/mine/7nvp) | Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ... | Authors: | Battista, T, Fiorillo, A, Colotti, G, Ilari, A. | Deposit date: | 2021-03-15 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach. Acs Infect Dis., 8, 2022
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6ZI7
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![BU of 6zi7 by Molmil](/molmil-images/mine/6zi7) | Crystal structure of OleP-oleandolide(DEO) bound to L-rhamnose | Descriptor: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, FORMIC ACID, ... | Authors: | Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I. | Deposit date: | 2020-06-25 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate. Biomolecules, 10, 2020
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6ZHZ
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![BU of 6zhz by Molmil](/molmil-images/mine/6zhz) | OleP-oleandolide(DEO) in high salt crystallization conditions | Descriptor: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P-450, ... | Authors: | Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Cecchetti, C. | Deposit date: | 2020-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate. Biomolecules, 10, 2020
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6ZI3
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![BU of 6zi3 by Molmil](/molmil-images/mine/6zi3) | Crystal structure of OleP-6DEB bound to L-rhamnose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, ... | Authors: | Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I. | Deposit date: | 2020-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate. Biomolecules, 10, 2020
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6ZI2
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![BU of 6zi2 by Molmil](/molmil-images/mine/6zi2) | OleP-oleandolide(DEO) in low salt crystallization conditions | Descriptor: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Parisi, G, Cecchetti, C. | Deposit date: | 2020-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate. Biomolecules, 10, 2020
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6XUV
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![BU of 6xuv by Molmil](/molmil-images/mine/6xuv) | Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, laminaribiose-bound form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Vallone, B, Sciara, G. | Deposit date: | 2020-01-21 | Release date: | 2021-02-03 | Last modified: | 2021-08-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose. Biotechnol Biofuels, 14, 2021
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6XUT
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![BU of 6xut by Molmil](/molmil-images/mine/6xut) | Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, ligand-free form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Sciara, G, Vallone, B. | Deposit date: | 2020-01-21 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose. Biotechnol Biofuels, 14, 2021
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6XUU
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![BU of 6xuu by Molmil](/molmil-images/mine/6xuu) | Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, glucose-bound form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Vallone, B, Sciara, G. | Deposit date: | 2020-01-21 | Release date: | 2021-02-03 | Last modified: | 2021-08-11 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose. Biotechnol Biofuels, 14, 2021
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5SA2
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![BU of 5sa2 by Molmil](/molmil-images/mine/5sa2) | |
5S9S
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![BU of 5s9s by Molmil](/molmil-images/mine/5s9s) | |
5S9X
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![BU of 5s9x by Molmil](/molmil-images/mine/5s9x) | PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1899842917 | Descriptor: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, BROMIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fiorillo, A, Ilari, A. | Deposit date: | 2021-05-18 | Release date: | 2022-06-15 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
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5S9V
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![BU of 5s9v by Molmil](/molmil-images/mine/5s9v) | |
5SA3
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![BU of 5sa3 by Molmil](/molmil-images/mine/5sa3) | |
5SA0
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![BU of 5sa0 by Molmil](/molmil-images/mine/5sa0) | PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1506050651 | Descriptor: | (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, BROMIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fiorillo, A, Ilari, A. | Deposit date: | 2021-05-18 | Release date: | 2022-06-15 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
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5S9W
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![BU of 5s9w by Molmil](/molmil-images/mine/5s9w) | |
5S9U
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![BU of 5s9u by Molmil](/molmil-images/mine/5s9u) | |
5SA1
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![BU of 5sa1 by Molmil](/molmil-images/mine/5sa1) | |
5S9T
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![BU of 5s9t by Molmil](/molmil-images/mine/5s9t) | |
5S9Z
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![BU of 5s9z by Molmil](/molmil-images/mine/5s9z) | |
5S9Y
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![BU of 5s9y by Molmil](/molmil-images/mine/5s9y) | |
5SMJ
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![BU of 5smj by Molmil](/molmil-images/mine/5smj) | Trypanothione reductase | Descriptor: | BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fiorillo, A, Ilari, A. | Deposit date: | 2022-03-05 | Release date: | 2023-03-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
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