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7QMF
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BU of 7qmf by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 7)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMH
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BU of 7qmh by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 9)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMJ
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BU of 7qmj by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 11)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMG
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BU of 7qmg by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 8)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QML
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BU of 7qml by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 13)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMI
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BU of 7qmi by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 10)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMK
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BU of 7qmk by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 12)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMM
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BU of 7qmm by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 14)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMN
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BU of 7qmn by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 15)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMO
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BU of 7qmo by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 16)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMP
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BU of 7qmp by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 17)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMQ
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BU of 7qmq by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMR
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BU of 7qmr by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 1)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
分子名称: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
著者Bobrovs, R, Jaudzems, K.
登録日2022-01-28
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
7TBC
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BU of 7tbc by Molmil
Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382
分子名称: (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F.
登録日2021-12-21
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
7TBE
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BU of 7tbe by Molmil
Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ...
著者Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F.
登録日2021-12-21
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
7TBD
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BU of 7tbd by Molmil
Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382
分子名称: (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F.
登録日2021-12-21
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
7TBB
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BU of 7tbb by Molmil
Crystal structure of Plasmepsin X from Plasmodium falciparum
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F.
登録日2021-12-21
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
7BKR
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BU of 7bkr by Molmil
Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
To Be Published
7BKV
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BU of 7bkv by Molmil
Endothiapepsin structure obtained at 100K with fragment AC39729 bound
分子名称: 5-fluoranylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Endothiapepsin structure obtained at 100K with fragment AC39729 bound
To Be Published
7BKU
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BU of 7bku by Molmil
Endothiapepsin structure obtained at 100K with fragment JFD03909 bound
分子名称: 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin
著者Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Endothiapepsin structure obtained at 100K with fragment JFD03909 bound
To Be Published
7BKS
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BU of 7bks by Molmil
100K endothiapepsin structure obtained in presence of 40 mM DMSO
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献100K endothiapepsin structure obtained in presence of 40 mM DMSO
To Be Published
7BKZ
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BU of 7bkz by Molmil
Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin
著者Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector
To Be Published
7NKW
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BU of 7nkw by Molmil
Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin
著者Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M.
登録日2021-02-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector
To Be Published
7BKW
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BU of 7bkw by Molmil
Endothiapepsin structure obtained at 100K with fragment BTB09871 bound
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Endothiapepsin structure obtained at 100K with fragment BTB09871 bound
To Be Published

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件を2024-07-10に公開中

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