8PTT
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![BU of 8ptt by Molmil](/molmil-images/mine/8ptt) | Human NUDT5 in complex with MRK-952 | Descriptor: | 6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine, ADP-sugar pyrophosphatase, MAGNESIUM ION | Authors: | Diaz-Saez, L, Koekemoer, L, Feyerherm, C, Sloman, S, Fischer, C, Schneider, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K.V.M. | Deposit date: | 2023-07-14 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human NUDT5 in complex with MRK-952 To Be Published
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8BI5
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![BU of 8bi5 by Molmil](/molmil-images/mine/8bi5) | Crystal structure of human Choline Kinase A in complex with UNC0737 | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ... | Authors: | Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human Choline Kinase A in complex with UNC0737 To Be Published
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8BI6
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![BU of 8bi6 by Molmil](/molmil-images/mine/8bi6) | Crystal structure of human Choline Kinase A in complex with UNC0638 | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ... | Authors: | Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human Choline Kinase A in complex with UNC0638 To Be Published
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6S5H
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![BU of 6s5h by Molmil](/molmil-images/mine/6s5h) | Structure of the human RAB38 in complex with GTP | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2019-07-01 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the human RAB38 in complex with GTP To Be Published
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5G1S
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![BU of 5g1s by Molmil](/molmil-images/mine/5g1s) | Open conformation of Francisella tularensis ClpP at 1.7 A | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Diaz-Saez, L, Pankov, G, Hunter, W.N. | Deposit date: | 2016-03-30 | Release date: | 2016-10-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Open and compressed conformations of Francisella tularensis ClpP. Proteins, 85, 2017
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6S5F
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![BU of 6s5f by Molmil](/molmil-images/mine/6s5f) | Structure of the human RAB39B in complex with GMPPNP | Descriptor: | 1,2-ETHANEDIOL, GLYCINE, MAGNESIUM ION, ... | Authors: | Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2019-07-01 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the human RAB39B in complex with GMPPNP To Be Published
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5G1R
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![BU of 5g1r by Molmil](/molmil-images/mine/5g1r) | Open conformation of Francisella tularensis ClpP at 1.9 A | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Diaz-Saez, L, Hunter, W.N. | Deposit date: | 2016-03-29 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Open and compressed conformations of Francisella tularensis ClpP. Proteins, 85, 2017
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5G1Q
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![BU of 5g1q by Molmil](/molmil-images/mine/5g1q) | |
5MQ1
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![BU of 5mq1 by Molmil](/molmil-images/mine/5mq1) | Crystal structure of the BRD7 bromodomain in complex with BI-9564 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7, ... | Authors: | Diaz-Saez, L, Martin, L.J, Panagakou, I, Picaud, S, Krojer, T, von Delft, F, Knapp, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2016-12-19 | Release date: | 2018-01-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the BRD7 bromodomain in complex with BI-9564 To Be Published
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4CZ1
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![BU of 4cz1 by Molmil](/molmil-images/mine/4cz1) | Crystal structure of kynurenine formamidase from Bacillus anthracis complexed with 2-aminoacetophenone. | Descriptor: | 2-aminoacetophenone, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ... | Authors: | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | Deposit date: | 2014-04-16 | Release date: | 2014-04-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile. Biochem.J., 462, 2014
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4CO9
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![BU of 4co9 by Molmil](/molmil-images/mine/4co9) | Crystal structure of kynurenine formamidase from Bacillus anthracis | Descriptor: | 1,4-DIETHYLENE DIOXIDE, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ... | Authors: | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | Deposit date: | 2014-01-27 | Release date: | 2014-04-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile. Biochem.J., 462, 2014
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4COG
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![BU of 4cog by Molmil](/molmil-images/mine/4cog) | Crystal structure of kynurenine formamidase from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile. Biochem.J., 462, 2014
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6Y7L
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![BU of 6y7l by Molmil](/molmil-images/mine/6y7l) | 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
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6Y7H
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![BU of 6y7h by Molmil](/molmil-images/mine/6y7h) | 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
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6Y7G
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![BU of 6y7g by Molmil](/molmil-images/mine/6y7g) | 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
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6Y7I
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![BU of 6y7i by Molmil](/molmil-images/mine/6y7i) | 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
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6Y7J
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![BU of 6y7j by Molmil](/molmil-images/mine/6y7j) | 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
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6Y7K
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![BU of 6y7k by Molmil](/molmil-images/mine/6y7k) | 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
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4COB
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![BU of 4cob by Molmil](/molmil-images/mine/4cob) | Crystal structure kynurenine formamidase from Pseudomonas aeruginosa | Descriptor: | KYNURENINE FORMAMIDASE, ZINC ION | Authors: | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile. Biochem.J., 462, 2014
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5NRI
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![BU of 5nri by Molmil](/molmil-images/mine/5nri) | |
5NRH
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![BU of 5nrh by Molmil](/molmil-images/mine/5nrh) | |
5R5B
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![BU of 5r5b by Molmil](/molmil-images/mine/5r5b) | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13725a | Descriptor: | 4-[(phenylmethyl)amino]benzoic acid, 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 (1.53 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R5M
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![BU of 5r5m by Molmil](/molmil-images/mine/5r5m) | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14123a | Descriptor: | (1-methylpiperidin-4-yl) 3-fluoranylbenzoate, 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 (1.6 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R50
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![BU of 5r50 by Molmil](/molmil-images/mine/5r50) | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13371a | Descriptor: | DIMETHYL SULFOXIDE, N-[4-(aminomethyl)phenyl]methanesulfonamide, 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 (1.87 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R5I
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![BU of 5r5i by Molmil](/molmil-images/mine/5r5i) | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N06325b | Descriptor: | 1-ethanoylpiperidine-4-carbonitrile, 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 (1.7 Å) | Cite: | PanDDA analysis group deposition To Be Published
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