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8TYG
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BU of 8tyg by Molmil
Plasmodium vivax PMV-WM08 inhibitor complex
Descriptor: (2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hodder, A.N, Scally, S.W, Cowman, A.F.
Deposit date:2023-08-25
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Plasmodium vivax PMV-WM08 inhibitor complex
To Be Published
8TYH
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BU of 8tyh by Molmil
Plasmodium vivax PMX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-tungstotellurate(VI), Aspartyl protease, ...
Authors:Hodder, A.N, Scally, S.W, Cowman, A.F.
Deposit date:2023-08-25
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Plasmodium vivax PMX
To Be Published
8TYF
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BU of 8tyf by Molmil
Plasmodium vivax PMV-WM06 inhibitor complex
Descriptor: (2E,4aR,7aS)-6-[(3M)-3-(2-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hodder, A.N, Scally, S.W, Czabotar, P.E, Cowman, A.F.
Deposit date:2023-08-25
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Plasmodium vivax PMX-XX inhibitor complex
To Be Published
8Q4B
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BU of 8q4b by Molmil
Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-163.1)
Descriptor: (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S.
Deposit date:2023-08-05
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystal structures of Endothiapepsin with ligands derived from merged fragment hits
To Be Published
7H57
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BU of 7h57 by Molmil
Crystal structure of endothiapepsin PF_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 (1.988 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5E
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BU of 7h5e by Molmil
Crystal structure of endothiapepsin PN_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 (1.911 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5B
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BU of 7h5b by Molmil
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
7H58
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BU of 7h58 by Molmil
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
7H59
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BU of 7h59 by Molmil
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
7H5C
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BU of 7h5c by Molmil
Crystal structure of endothiapepsin PN_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 (1.906 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5G
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BU of 7h5g by Molmil
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
7H5H
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BU of 7h5h by Molmil
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
7H5F
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BU of 7h5f by Molmil
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
7H5K
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BU of 7h5k by Molmil
Crystal structure of endothiapepsin IS_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 (2.027 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5O
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BU of 7h5o by Molmil
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
7H5L
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BU of 7h5l by Molmil
Crystal structure of endothiapepsin PN_cryo3 in complex with TL00150 at 100 K
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, [4-(trifluoromethyl)phenyl]methanamine
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 (1.856 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5R
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BU of 7h5r by Molmil
Crystal structure of endothiapepsin IS_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 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5M
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BU of 7h5m by Molmil
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
7H56
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BU of 7h56 by Molmil
Crystal structure of endothiapepsin PF_cryo3 in complex with AC39729 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 (1.987 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5P
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BU of 7h5p by Molmil
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
7H5I
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BU of 7h5i by Molmil
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
7H5S
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BU of 7h5s by Molmil
Crystal structure of endothiapepsin IS_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 (2 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5A
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BU of 7h5a by Molmil
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
7H5U
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BU of 7h5u by Molmil
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
7H5D
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BU of 7h5d by Molmil
Crystal structure of endothiapepsin PN_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 (1.907 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024

225158

數據於2024-09-18公開中

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