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5RU9
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BU of 5ru9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000165882
分子名称: 3-AMINOPYRIDINE-4-CARBOXYLIC ACID, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RUN
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BU of 5run by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295
分子名称: 3-(1H-benzimidazol-1-yl)propanoic acid, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RV5
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948
分子名称: BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RVI
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283
分子名称: CHLORZOXAZONE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RSJ
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3
分子名称: 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RWB
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BU of 5rwb by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434899
分子名称: 1-[(thiophen-3-yl)methyl]piperidin-4-ol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RWL
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BU of 5rwl by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1348371854
分子名称: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RWU
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z57778470
分子名称: 1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RX7
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BU of 5rx7 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1545196403
分子名称: 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RW9
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z203581214
分子名称: 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RWH
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1152242726
分子名称: DIMETHYL SULFOXIDE, N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RWR
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434783
分子名称: DIMETHYL SULFOXIDE, N-benzyl-1-(4-fluorophenyl)methanamine, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RYF
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1266823232
分子名称: (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RX2
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BU of 5rx2 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1827898537
分子名称: (3R)-N-benzylpyrrolidin-3-amine, (3S)-N-benzylpyrrolidin-3-amine, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXI
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2447286438
分子名称: (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXW
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434856
分子名称: 4-[(3-chlorophenyl)methyl]morpholine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RYB
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z927400026
分子名称: (2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RYJ
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2177153697
分子名称: 3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXG
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434909
分子名称: (2S)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXV
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z45527714
分子名称: 2-chlorobenzene-1-thiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RYA
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1741973467
分子名称: (4-methoxyphenyl)(piperidin-4-yl)methanone, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RWA
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434812
分子名称: 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RWK
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1267881672
分子名称: DIMETHYL SULFOXIDE, N-(6-methylpyridin-2-yl)-L-prolinamide, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RWS
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1478435544
分子名称: 5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RX5
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2443429438
分子名称: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024

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件を2024-10-30に公開中

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