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6XUT
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BU of 6xut by Molmil
Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, ligand-free form
分子名称: 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, ...
著者Cerutti, G, Savino, C, Montemiglio, L.C, Sciara, G, Vallone, B.
登録日2020-01-21
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
6ZHZ
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BU of 6zhz by Molmil
OleP-oleandolide(DEO) in high salt crystallization conditions
分子名称: (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, ...
著者Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Cecchetti, C.
登録日2020-06-24
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZI2
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BU of 6zi2 by Molmil
OleP-oleandolide(DEO) in low salt crystallization conditions
分子名称: (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
著者Savino, C, Montemiglio, L.C, Vallone, B, Parisi, G, Cecchetti, C.
登録日2020-06-24
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZI7
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BU of 6zi7 by Molmil
Crystal structure of OleP-oleandolide(DEO) bound to L-rhamnose
分子名称: (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, ...
著者Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I.
登録日2020-06-25
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZI3
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BU of 6zi3 by Molmil
Crystal structure of OleP-6DEB bound to L-rhamnose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, ...
著者Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I.
登録日2020-06-24
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
5MJD
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BU of 5mjd by Molmil
metNgb under oxygen at 80 bar
分子名称: Neuroglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Prange, T, Colloc'h, N, Carpentier, P.
登録日2016-11-30
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
5MJC
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metNeuroglobin under oxygen at 50 bar
分子名称: 1,4-DIETHYLENE DIOXIDE, Neuroglobin, OXYGEN MOLECULE, ...
著者Prange, T, Colloc'h, N, Carpentier, P, Vallone, B.
登録日2016-11-30
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
7NVP
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BU of 7nvp by Molmil
Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ...
著者Battista, T, Fiorillo, A, Colotti, G, Ilari, A.
登録日2021-03-15
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach.
Acs Infect Dis., 8, 2022
5S9U
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z32327641
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9T
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BU of 5s9t by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1614545742
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9X
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BU of 5s9x by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1899842917
分子名称: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA3
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BU of 5sa3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434874
分子名称: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA1
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BU of 5sa1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434944
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9V
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BU of 5s9v by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434826
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9Z
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BU of 5s9z by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434884
分子名称: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9Y
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BU of 5s9y by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z24758179
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9S
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BU of 5s9s by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434898
分子名称: 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9W
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BU of 5s9w by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z26769872
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA2
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BU of 5sa2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1148747945
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA0
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BU of 5sa0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1506050651
分子名称: (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SMJ
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BU of 5smj by Molmil
Trypanothione reductase
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2022-03-05
公開日2023-03-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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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