5NHT
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![BU of 5nht by Molmil](/molmil-images/mine/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
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7OHD
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![BU of 7ohd by Molmil](/molmil-images/mine/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
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6H6J
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![BU of 6h6j by Molmil](/molmil-images/mine/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
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6H5Z
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![BU of 6h5z by Molmil](/molmil-images/mine/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
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5NQK
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![BU of 5nqk by Molmil](/molmil-images/mine/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
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8PF4
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![BU of 8pf4 by Molmil](/molmil-images/mine/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
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8PF3
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![BU of 8pf3 by Molmil](/molmil-images/mine/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$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | 登録日 | 2023-06-15 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
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8PF5
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![BU of 8pf5 by Molmil](/molmil-images/mine/8pf5) | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | 分子名称: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$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
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6H6I
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![BU of 6h6i by Molmil](/molmil-images/mine/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
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6H6C
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![BU of 6h6c by Molmil](/molmil-images/mine/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
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6RA6
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![BU of 6ra6 by Molmil](/molmil-images/mine/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
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6I40
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![BU of 6i40 by Molmil](/molmil-images/mine/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
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6I3T
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![BU of 6i3t by Molmil](/molmil-images/mine/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
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7Q89
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![BU of 7q89 by Molmil](/molmil-images/mine/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
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7Q6X
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![BU of 7q6x by Molmil](/molmil-images/mine/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
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7Q6R
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![BU of 7q6r by Molmil](/molmil-images/mine/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
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7ZTH
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![BU of 7zth by Molmil](/molmil-images/mine/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
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7ZN5
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![BU of 7zn5 by Molmil](/molmil-images/mine/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
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7ZLA
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![BU of 7zla by Molmil](/molmil-images/mine/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
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7ZPA
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![BU of 7zpa by Molmil](/molmil-images/mine/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
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5MNS
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![BU of 5mns by Molmil](/molmil-images/mine/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
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5MNV
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![BU of 5mnv by Molmil](/molmil-images/mine/5mnv) | |
5MJD
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![BU of 5mjd by Molmil](/molmil-images/mine/5mjd) | 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
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5MJC
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![BU of 5mjc by Molmil](/molmil-images/mine/5mjc) | 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
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7PQ9
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![BU of 7pq9 by Molmil](/molmil-images/mine/7pq9) | Crystal structure of Bacillus clausii pdxR at 2.8 Angstroms resolution | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Vivoli Vega, M, Isupov, M.N, Harmer, N. | 登録日 | 2021-09-16 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR. Nucleic Acids Res., 51, 2023
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