8EUM
 
 | | MicroED structure of an Aeropyrum pernix protoglobin mutant | | Descriptor: | FE (III) ION, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Danelius, E, Gonen, T, Unge, J.T. | | Deposit date: | 2022-10-18 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.1 Å) | | Cite: | MicroED Structure of a Protoglobin Reactive Carbene Intermediate.
J.Am.Chem.Soc., 145, 2023
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8EUN
 | | MicroED structure of an Aeropyrum pernix protoglobin metallo-carbene complex | | Descriptor: | Protogloblin ApPgb, benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron | | Authors: | Danelius, E, Gonen, T, Unge, J.T. | | Deposit date: | 2022-10-19 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | | Cite: | MicroED Structure of a Protoglobin Reactive Carbene Intermediate.
J.Am.Chem.Soc., 145, 2023
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7UTE
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8VD7
 | | MicroED structure of SARS-CoV-2 main protease (MPro/3CLPro) with missing cone eliminated by suspended drop | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION | | Authors: | Bu, G, Gillman, C, Danelius, E, Hattne, J, Nannenga, B.L, Gonen, T. | | Deposit date: | 2023-12-14 | | Release date: | 2024-07-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.15 Å) | | Cite: | Eliminating the missing cone challenge through innovative approaches.
J Struct Biol X, 9, 2024
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9BDJ
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7Q96
 | | Keap1 compound complex | | Descriptor: | 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Johansson, P. | | Deposit date: | 2021-11-12 | | Release date: | 2022-03-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.415 Å) | | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7Q6S
 | | Keap1 compound complex | | Descriptor: | (5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Johansson, P. | | Deposit date: | 2021-11-09 | | Release date: | 2022-03-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.143 Å) | | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7Q6Q
 | | Keap1 compound complex | | Descriptor: | (5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Johansson, P. | | Deposit date: | 2021-11-09 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7Q5H
 | | Keap1 compound complex | | Descriptor: | (3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Johansson, P. | | Deposit date: | 2021-11-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7Q8R
 | | Keap1 compound complex | | Descriptor: | 3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Johansson, P. | | Deposit date: | 2021-11-11 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.282 Å) | | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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6QYT
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A truncated analogue | | Descriptor: | DAL-LEU-SER-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYV
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A (Ser2, Ala5, Ala8) analogue | | Descriptor: | PHE-SER-DAL-LEU-ALA-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYU
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A | | Descriptor: | PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYR
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, minor conformer | | Descriptor: | DAL-LEU-GLY-CYS-THR | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QTF
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, major conformer | | Descriptor: | DCY-LEU-GLY-ALA-THR | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-02-25 | | Release date: | 2019-09-11 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QM1
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B (Lan8,11) analogue | | Descriptor: | DAL-PRO-GLY-CYS-LYS | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-02-01 | | Release date: | 2019-09-11 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYW
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - nisin ring A | | Descriptor: | ILE-DBU-DAL-ILE-DHA-LEU-CYS-ALA | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2019-10-02 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6QYS
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B | | Descriptor: | DBB-PRO-GLY-CYS-LYS | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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