7G9E
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102197-001 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(3-methyl-1,2-oxazol-5-yl)acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8J
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1216861874 | Descriptor: | 5-(difluoromethoxy)pyridin-2(3H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G9F
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102209-001 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8L
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1251207602 | Descriptor: | 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8G
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z111529496 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8T
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1273312142 | Descriptor: | 2-ethoxy-3-fluoro-N,N-dimethylbenzamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.385 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8N
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1262549981 | Descriptor: | 1-anilinocyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8U
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z131833926 | Descriptor: | (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8O
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1267800292 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-methyl-1H-indole-7-carboxamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G92
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1545313172 | Descriptor: | (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8W
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416193393 | Descriptor: | 4-(5-methyl-1H-pyrazol-4-yl)piperidine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G95
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z165170770 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-methyl-4-sulfamoylbenzamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8Z
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1493056027 | Descriptor: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.509 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8Q
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269220427 | Descriptor: | 8-(methanesulfonyl)quinoline, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.561 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8M
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1255459547 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(1H-indol-7-yl)acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8V
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z133716556 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G9C
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102141-001 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[2-(methanesulfonyl)phenyl]acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.686 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G9D
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102179-001 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.659 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G9G
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102236-001 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(2-methoxyphenyl)acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G9H
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102245-001 | Descriptor: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.746 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G82
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010 | Descriptor: | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.409 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G83
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814 | Descriptor: | 3-propanamido-1-benzofuran-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8Y
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1449748885 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(4-methoxyphenyl)glycinamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7GH9
| Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-362d364a-10 (Mpro-x2971) | Descriptor: | 2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GHG
| Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with DAV-CRI-3edb475e-4 (Mpro-x3324) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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