7OHD
 
 | | CRYSTAL STRUCTURE OF FERRIC MURINE NEUROGLOBIN CDLESS MUTANT | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ISOPROPYL ALCOHOL, ... | | 著者 | Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Cerutti, G, Gugole, E, Vallone, B. | | 登録日 | 2021-05-10 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Probing the Role of Murine Neuroglobin CDloop-D-Helix Unit in CO Ligand Binding and Structural Dynamics.
Acs Chem.Biol., 17, 2022
|
|
8PF4
 | | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-methyl-1-(3-phenylpropyl)piperazin-1-ium | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | | 登録日 | 2023-06-15 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
|
|
8PF3
 | | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | | 分子名称: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | | 登録日 | 2023-06-15 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
|
|
8PF5
 | | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | | 分子名称: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Exertier, C, Antonelli, L, Fiorillo, A, Ilari, A. | | 登録日 | 2023-06-15 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
|
|
5NHT
 | | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | 分子名称: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | | 著者 | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | 登録日 | 2017-03-22 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
|
|
5NQK
 | | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | 著者 | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | 登録日 | 2017-04-20 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
|
|
6H6J
 | | Carbomonoxy murine neuroglobin Gly-loop mutant | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON MONOXIDE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G. | | 登録日 | 2018-07-27 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating.
Sci Rep, 9, 2019
|
|
6H6C
 | | Carbomonoxy murine neuroglobin F106A mutant | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, CARBON MONOXIDE, GLYCEROL, ... | | 著者 | Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G. | | 登録日 | 2018-07-27 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating.
Sci Rep, 9, 2019
|
|
6H6I
 | | Ferric murine neuroglobin Gly-loop mutant | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G. | | 登録日 | 2018-07-27 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating.
Sci Rep, 9, 2019
|
|
6H5Z
 | | Ferric murine neuroglobin F106A mutant | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G. | | 登録日 | 2018-07-25 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating.
Sci Rep, 9, 2019
|
|
6RA6
 | | Ferric murine neuroglobin Gly-loop44-47/F106A mutant | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Vallone, B. | | 登録日 | 2019-04-05 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Lack of orientation selectivity of the heme insertion in murine neuroglobin revealed by resonance Raman spectroscopy.
Febs J., 287, 2020
|
|
7Q89
 | | OleP mutant G92W in complex with 6DEB | | 分子名称: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | | 著者 | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | | 登録日 | 2021-11-10 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
|
|
7Q6X
 | | OleP mutant S240Y in complex with 6DEB | | 分子名称: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | | 著者 | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
|
|
7Q6R
 | | OleP mutant E89Y in complex with 6DEB | | 分子名称: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | | 著者 | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
|
|
7ZN5
 | | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the closed conformation, C2 symmetry. | | 分子名称: | DNA (48-MER), PLP-dependent aminotransferase family protein | | 著者 | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | | 登録日 | 2022-04-20 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
|
|
7ZLA
 | | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the half-closed conformation | | 分子名称: | DNA (48-MER), PLP-dependent aminotransferase family protein | | 著者 | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Savino, C, Exertier, C, Bolognesi, M, Chaves Sanjuan, A. | | 登録日 | 2022-04-14 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.99 Å) | | 主引用文献 | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
|
|
7ZTH
 | | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the open conformation | | 分子名称: | DNA (48-MER), PLP-dependent aminotransferase family protein | | 著者 | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | | 登録日 | 2022-05-10 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
|
|
7ZPA
 | | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the closed conformation, C1 symmetry | | 分子名称: | DNA (48-MER), PLP-dependent aminotransferase family protein | | 著者 | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | | 登録日 | 2022-04-27 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
|
|
6I3T
 | | Crystal structure of murine neuroglobin bound to CO at 40 K. | | 分子名称: | ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ... | | 著者 | Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C. | | 登録日 | 2018-11-07 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
|
|
6I40
 | | Crystal structure of murine neuroglobin bound to CO at 15K under illumination using optical fiber | | 分子名称: | ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ... | | 著者 | Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C, Vallone, B. | | 登録日 | 2018-11-08 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
|
|
5MNS
 | | Structural and functional characterization of OleP in complex with 6DEB in sodium formate | | 分子名称: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Parisi, G, Savino, C, Montemiglio, L.C, Vallone, B. | | 登録日 | 2016-12-13 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Substrate-induced conformational change in cytochrome P450 OleP.
FASEB J., 33, 2019
|
|
5MNV
 | |
7NVP
 | | 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
|
|
6XUV
 | | Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, laminaribiose-bound 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, Vallone, B, Sciara, G. | | 登録日 | 2020-01-21 | | 公開日 | 2021-02-03 | | 最終更新日 | 2021-08-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 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
|
|
6XUU
 | | Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, glucose-bound 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, Vallone, B, Sciara, G. | | 登録日 | 2020-01-21 | | 公開日 | 2021-02-03 | | 最終更新日 | 2021-08-11 | | 実験手法 | X-RAY DIFFRACTION (1.57 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
|
|
