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5RVZ
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BU of 5rvz by Molmil
PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z1929757385
分子名称: (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol, MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, ...
著者Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W.
登録日2020-10-27
公開日2020-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5RWW
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BU of 5rww by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2241115980
分子名称: 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine, 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 (1.16 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXF
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BU of 5rxf by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2074076908
分子名称: 1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-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 (1.26 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RX8
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BU of 5rx8 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434884
分子名称: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-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 (1.34 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXX
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BU of 5rxx by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1275599911
分子名称: 1-(2-azaspiro[5.6]dodecan-2-yl)ethan-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 (1.43 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXQ
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BU of 5rxq by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z26548083
分子名称: DIMETHYL SULFOXIDE, N-(3-cyanophenyl)-2-methylpropanamide, 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 (1.65 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RYD
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BU of 5ryd by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z955369596
分子名称: DIMETHYL SULFOXIDE, N-[(5-bromo-2-methoxyphenyl)methyl]acetamide, 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 (1.6 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RY5
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BU of 5ry5 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z166605480
分子名称: (1S)-1-(4-fluorophenyl)-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 (1.54 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RYT
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BU of 5ryt by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z54226006
分子名称: (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, 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2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RYH
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BU of 5ryh by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1212984951
分子名称: (3S)-3-(methylamino)-1-phenylpiperidin-2-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 (1.72 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RZ5
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BU of 5rz5 by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434851
分子名称: 1,2-ETHANEDIOL, 4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, 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2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZ6
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BU of 5rz6 by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434944
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ...
著者Bradshaw, W.J, Katis, V.L, 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2024-03-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZG
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BU of 5rzg by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z133729708
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ...
著者Bradshaw, W.J, Katis, V.L, 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2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZM
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BU of 5rzm by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434815
分子名称: 1,2-ETHANEDIOL, 4-[(dimethylamino)methyl]benzonitrile, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, 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2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZW
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BU of 5rzw by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2574937229
分子名称: (S)-1-(4-methoxyphenyl)-1-phenylmethanamine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, 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2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RPR
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BU of 5rpr by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo15
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROB
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BU of 5rob by Molmil
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 helicase
分子名称: Helicase, PHOSPHATE ION, ZINC ION
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-22
公開日2021-03-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5ROJ
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BU of 5roj by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo59
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROE
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BU of 5roe by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo6
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROQ
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BU of 5roq by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a
分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROF
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BU of 5rof by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C11a
分子名称: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPL
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BU of 5rpl by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C8a
分子名称: (4-methoxycarbonylphenyl)methylazanium, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROH
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BU of 5roh by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo61
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROI
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BU of 5roi by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo30
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPS
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BU of 5rps by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo60
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021

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件を2024-07-17に公開中

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