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PDB: 2899 件
5RKN
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BU of 5rkn by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z373768900
分子名称: N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RL3
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BU of 5rl3 by Molmil
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-39 (Mpro-x3117)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F.
登録日2020-08-05
公開日2020-12-02
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
5RH7
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BU of 5rh7 by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011584 (Mpro-x2705)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-05-15
公開日2020-05-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RJW
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BU of 5rjw by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z256709556
分子名称: 3-methylthiophene-2-carboxylic acid, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.514 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKB
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BU of 5rkb by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2004563941
分子名称: (1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.279 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKR
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BU of 5rkr by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1432018343
分子名称: (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RGW
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BU of 5rgw by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621910 (Mpro-x2569)
分子名称: 2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-05-15
公開日2020-05-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RH9
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BU of 5rh9 by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4438424255 (Mpro-x2776)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-05-15
公開日2020-05-27
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RW0
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BU of 5rw0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z2444997446
分子名称: 1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine, 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 (1.673 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5RJO
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BU of 5rjo by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00023827
分子名称: 6-bromo-1,3-dihydro-2H-indol-2-one, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RK1
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BU of 5rk1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1507502062
分子名称: 6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.271 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKI
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BU of 5rki by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396
分子名称: 4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.268 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RL2
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BU of 5rl2 by Molmil
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-26 (Mpro-x3115)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F.
登録日2020-08-05
公開日2020-12-02
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
3Q4U
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BU of 3q4u by Molmil
Crystal structure of the ACVR1 kinase domain in complex with LDN-193189
分子名称: 1,2-ETHANEDIOL, 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ...
著者Chaikuad, A, Sanvitale, C, Cooper, C.D.O, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C.K, Krojer, T, Vollmar, M, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-12-24
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
5RGU
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BU of 5rgu by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622180 (Mpro-x2562)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-05-15
公開日2020-05-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RHA
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BU of 5rha by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z147647874 (Mpro-x2779)
分子名称: 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-05-15
公開日2020-05-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RH0
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BU of 5rh0 by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1286870272 (Mpro-x2608)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-05-15
公開日2020-05-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.916 Å)
主引用文献PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RJQ
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BU of 5rjq by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024665
分子名称: 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RK5
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BU of 5rk5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z57478994
分子名称: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.243 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RJX
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BU of 5rjx by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z285782452
分子名称: N-methyl-2-(methylsulfonyl)aniline, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.291 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKM
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BU of 5rkm by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2017168803
分子名称: (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKD
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BU of 5rkd by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2168282707
分子名称: (6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.237 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RL0
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BU of 5rl0 by Molmil
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-2 (Mpro-x3110)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F.
登録日2020-08-05
公開日2020-12-02
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
5RKU
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BU of 5rku by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z32367954
分子名称: PH-interacting protein, ~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
6GY5
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Crystal structure of the kelch domain of human KLHL20 in complex with DAPK1 peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Death-associated protein kinase 1, ...
著者Chen, Z, Hozjan, V, Strain-Damerell, C, Williams, E, Wang, D, Cooper, C.D.O, Sanvitale, C.E, Fairhead, M, Carpenter, E.P, Pike, A.C.W, Krojer, T, Srikannathasan, V, Sorrell, F, Johansson, C, Mathea, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-06-28
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.086 Å)
主引用文献Structural Basis for Recruitment of DAPK1 to the KLHL20 E3 Ligase.
Structure, 27, 2019

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件を2024-08-07に公開中

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