7H5M
 
 | | Crystal structure of endothiapepsin PN_cryo1 in complex with TL00150 at 100 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5Q
 | | Crystal structure of endothiapepsin PF_RT2 in complex with TL00150 at 296 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5T
 | | Crystal structure of endothiapepsin IS_RT2 in complex with TL00150 at 296 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5B
 | | Crystal structure of endothiapepsin IS_RT2 in complex with AC39729 at 296 K | | Descriptor: | 5-fluoranylpyridin-2-amine, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.122 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5Z
 | | Crystal structure of endothiapepsin IS_RT2 in complex with JFD03909 at 296 K | | Descriptor: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H58
 | | Crystal structure of endothiapepsin PF_RT2 in complex with AC39729 at 296 K | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.979 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5I
 | | Crystal structure of endothiapepsin IS_cryo3 in complex with AC40075 at 100 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5A
 | | Crystal structure of endothiapepsin IS_cryo1 in complex with AC39729 at 100 K | | Descriptor: | 5-fluoranylpyridin-2-amine, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H59
 | | Crystal structure of endothiapepsin IS_cryo3 in complex with AC39729 at 100 K | | Descriptor: | 5-fluoranylpyridin-2-amine, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5X
 | | Crystal structure of endothiapepsin IS_cryo3 in complex with JFD03909 at 100 K | | Descriptor: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5H
 | | Crystal structure of endothiapepsin PF_RT2 in complex with AC40075 at 296 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5G
 | | Crystal structure of endothiapepsin PF_cryo1 in complex with AC40075 at 100 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.887 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5Y
 | | Crystal structure of endothiapepsin IS_cryo1 in complex with JFD03909 at 100 K | | Descriptor: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5F
 | | Crystal structure of endothiapepsin PF_cryo3 in complex with AC40075 at 100 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5N
 | | Crystal structure of endothiapepsin PN_RT2 in complex with TL00150 at 296 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5O
 | | Crystal structure of endothiapepsin PF_cryo3 in complex with TL00150 at 100 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5P
 | | Crystal structure of endothiapepsin PF_cryo1 in complex with TL00150 at 100 K | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5U
 | | Crystal structure of endothiapepsin PF_cryo3 in complex with JFD03909 at 100 K | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5V
 | | Crystal structure of endothiapepsin PF_cryo1 in complex with JFD03909 at 100 K | | Descriptor: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.985 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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7H5W
 | | Crystal structure of endothiapepsin PF_RT2 in complex with JFD03909 at 296 K | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-04-10 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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9G35
 | | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin | | Descriptor: | 1,2-ETHANEDIOL, Endothiapepsin, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | | Deposit date: | 2024-07-11 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
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9G34
 | | The HIV protease inhibitor darunavir binding to the active site of Cryphonectria parasitica endothiapepsin | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | | Deposit date: | 2024-07-11 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The HIV protease inhibitor darunavir binding to the active site of Cryphonectria
parasitica endothiapepsin
To Be Published
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9FVO
 | | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ... | | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | | Deposit date: | 2024-06-27 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
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8C6P
 | | Fragment screening hit I bound to endothiapepsin | | Descriptor: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6Q
 | | Fragment screening hit II bound to endothiapepsin | | Descriptor: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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