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7G9E
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BU of 7g9e by Molmil
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
7G8M
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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
7G9F
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BU of 7g9f by Molmil
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
7G9C
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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
7G8G
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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
7G8Q
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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
7G8N
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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
7G8V
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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
7G8O
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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
7G9D
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BU of 7g9d by Molmil
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
7G9G
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BU of 7g9g by Molmil
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
7G8W
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BU of 7g8w by Molmil
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
5QGS
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BU of 5qgs by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000476a
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QH6
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BU of 5qh6 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000259a
Descriptor: 2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGY
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000158
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-2-phenylacetamide, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHE
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BU of 5qhe by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-350
Descriptor: 1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QIF
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BU of 5qif by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z31792168
Descriptor: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QIE
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BU of 5qie by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2856434894
Descriptor: FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGK
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BU of 5qgk by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000679a
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGU
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000747a
Descriptor: (4-tert-butylpiperidin-1-yl)(phenyl)methanone, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QH7
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BU of 5qh7 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000194a
Descriptor: 2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGP
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-221
Descriptor: (3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QH2
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BU of 5qh2 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000188
Descriptor: 2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGQ
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BU of 5qgq by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-65
Descriptor: 3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QH3
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000191
Descriptor: 2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published

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