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8PJ7
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BU of 8pj7 by Molmil
MLLT3 in complex with compound PFI-6
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
Deposit date:2023-06-22
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
8PJI
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BU of 8pji by Molmil
MLLT1 in complex with compound 10a
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ...
Authors:Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
Deposit date:2023-06-23
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
7NNJ
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BU of 7nnj by Molmil
Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105)
Descriptor: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2, FORMIC ACID, ...
Authors:Dubianok, Y, Arruda Bezerra, G, Raux, B, Diaz Saez, L, Riley, A.M, Potter, B.V.L, Huber, K.V.M, von Delft, F.
Deposit date:2021-02-24
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105)
To Be Published
5MG2
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BU of 5mg2 by Molmil
Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe
Descriptor: 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1
Authors:Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC)
Deposit date:2016-11-20
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
5N49
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BU of 5n49 by Molmil
BRPF2 in complex with Compound 7
Descriptor: 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1
Authors:Bouche, L, Christ, C.D, Siegel, S, Fernandez-Montalvan, A.E, Holton, S.J, Fedorov, O, ter Laak, A, Sugawara, T, Stoeckigt, D, Tallant, C, Bennett, J, Monteiro, O, Saez, L.D, Siejka, P, Meier, J, Puetter, V, Weiske, J, Mueller, S, Huber, K.V.M, Hartung, I.V, Haendler, B.
Deposit date:2017-02-10
Release date:2017-05-03
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
6Y7L
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BU of 6y7l by Molmil
Structure of the BRD9 bromodomain and TP-472
Descriptor: 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 9
Authors:Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
Deposit date:2020-03-01
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the BRD9 bromodomain and compound 2
To Be Published
6Y7H
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BU of 6y7h by Molmil
Structure of the BRD9 bromodomain and compound 11
Descriptor: 1,2-ETHANEDIOL, 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9
Authors:Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
Deposit date:2020-03-01
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the BRD9 bromodomain
To Be Published
6Y7G
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BU of 6y7g by Molmil
Structure of the human RAB3C in complex with GDP
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L, Jung, S, Raux, B, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
Deposit date:2020-02-29
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the human RAB3C in complex with GDP
To Be Published
6Y7I
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BU of 6y7i by Molmil
Structure of the BRD9 bromodomain and compound 2
Descriptor: 1,2-ETHANEDIOL, 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9
Authors:Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
Deposit date:2020-03-01
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the BRD9 bromodomain and compound 2
To Be Published
6Y7J
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BU of 6y7j by Molmil
Structure of the BRD9 bromodomain and compound 15
Descriptor: 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone, ACETATE ION, Bromodomain-containing protein 9, ...
Authors:Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
Deposit date:2020-03-01
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the BRD9 bromodomain
To Be Published
6Y7K
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BU of 6y7k by Molmil
Structure of the BRD9 bromodomain and compound 27
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 9, SODIUM ION, ...
Authors:Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
Deposit date:2020-03-01
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of the BRD9 bromodomain
To Be Published
5R58
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BU of 5r58 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13542a
Descriptor: (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22
Authors:Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
Deposit date:2020-02-28
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R5R
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BU of 5r5r by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14078a
Descriptor: 2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22
Authors:Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
Deposit date:2020-02-28
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R68
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BU of 5r68 by Molmil
XChem group deposition -- Crystal Structure of human YEATS4 in complex with FM000199e
Descriptor: (1-methylbenzotriazol-5-yl)methanol, 1,2-ETHANEDIOL, YEATS domain-containing protein 4
Authors:Raux, B, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K.V.M.
Deposit date:2020-02-29
Release date:2020-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:XChem group deposition
To Be Published
5R56
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BU of 5r56 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13688a
Descriptor: 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22
Authors:Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
Deposit date:2020-02-28
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R5Q
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BU of 5r5q by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13920a
Descriptor: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22
Authors:Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
Deposit date:2020-02-28
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R65
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BU of 5r65 by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with FMOPL000387a
Descriptor: ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ZINC ION, ...
Authors:Talon, R, Krojer, T, Diaz-Saez, L, Bradley, A.R, Aimon, A, Fairhead, M, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Huber, K.V.M, von Delft, F.
Deposit date:2020-02-28
Release date:2020-04-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4T
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BU of 5r4t by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with SK-430
Descriptor: (5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
Authors:Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R5G
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BU of 5r5g by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13707a
Descriptor: DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22, methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate
Authors:Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
Deposit date:2020-02-28
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4U
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BU of 5r4u by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-43
Descriptor: (5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
Authors:Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R5F
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BU of 5r5f by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13793a
Descriptor: DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22, ~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
Authors:Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
Deposit date:2020-02-28
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R66
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BU of 5r66 by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with FMOPL000198a
Descriptor: ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide, ...
Authors:Talon, R, Krojer, T, Diaz-Saez, L, Bradley, A.R, Aimon, A, Fairhead, M, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Huber, K.V.M, von Delft, F.
Deposit date:2020-02-28
Release date:2020-04-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4R
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BU of 5r4r by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-42
Descriptor: (5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
Authors:Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R59
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BU of 5r59 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13441a
Descriptor: DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22, methyl 3-(methylsulfonylamino)benzoate
Authors:Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
Deposit date:2020-02-28
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R5P
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BU of 5r5p by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13910a
Descriptor: DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22, ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline
Authors:Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
Deposit date:2020-02-28
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:PanDDA analysis group deposition
To Be Published

 

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