5QIO | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH P11 | | Descriptor: | Ubiquitin thioesterase OTUB2, UNKNOWN LIGAND, (1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIP | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0102153 | | Descriptor: | Ubiquitin thioesterase OTUB2, benzyl acetylcarbamate, 1,2-ETHANEDIOL, ... | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIQ | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0103050 | | Descriptor: | Ubiquitin thioesterase OTUB2, DI(HYDROXYETHYL)ETHER, N-[(4-bromothiophen-2-yl)methyl]acetamide, ... | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIR | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0102305 | | Descriptor: | Ubiquitin thioesterase OTUB2, N-[(4-fluoro-3-methylphenyl)methyl]acetamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIS | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0102500 | | Descriptor: | Ubiquitin thioesterase OTUB2, N-(5-methyl-1,2-oxazol-3-yl)acetamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIT | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0102821 | | Descriptor: | Ubiquitin thioesterase OTUB2, N-[(E)-(3-methylphenyl)methylidene]acetamide, 1,2-ETHANEDIOL, ... | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIU | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0103011 | | Descriptor: | Ubiquitin thioesterase OTUB2, N-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide, 1,2-ETHANEDIOL, ... | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIV | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0102998 | | Descriptor: | Ubiquitin thioesterase OTUB2, 1,2-ETHANEDIOL, N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide, ... | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIW | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0102660 | | Descriptor: | Ubiquitin thioesterase OTUB2, N-[(E)-(4-methylphenyl)methylidene]acetamide, UNKNOWN LIGAND | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIX | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0103007 | | Descriptor: | Ubiquitin thioesterase OTUB2, N-(3-phenylprop-2-yn-1-yl)acetamide, 1,2-ETHANEDIOL, ... | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIY | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0102954 | | Descriptor: | Ubiquitin thioesterase OTUB2, N'-acetyl-2-chlorobenzohydrazide, UNKNOWN LIGAND | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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5QIZ | | COVALENT FRAGMENT GROUP DEPOSITION -- CRYSTAL STRUCTURE OF OUTB2 IN COMPLEX WITH PCM-0103080 | | Descriptor: | Ubiquitin thioesterase OTUB2, N-[(5-chlorothiophen-2-yl)methyl]acetamide, UNKNOWN LIGAND | | Authors: | Sethi, R., Douangamath, A., Resnick, E., Bradley, A.R., Collins, P., Brandao-Neto, J., Talon, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A., London, N., von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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3V8O | |
4MGX | |
6ROG | | CRYSTAL STRUCTURE OF THE KELCH DOMAIN OF HUMAN KEAP1 | | Descriptor: | Kelch-like ECH-associated protein 1, FORMIC ACID, SODIUM ION | | Authors: | Sethi, R., Krojer, T., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Bullock, A.N., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-13 | | Release date: | 2019-06-19 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structure of the KELCH domain of human KEAP1
To Be Published
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5MLE | | CRYSTAL STRUCTURE OF HUMAN DIHYDROPYRIMIDINEASE-LIKE 2 (DPYSL2A)/COLLAPSIN RESPONSE MEDIATOR PROTEIN (CRMP2 13-516) MUTANT Y479E/Y499E | | Descriptor: | Dihydropyrimidinase-related protein 2, DI(HYDROXYETHYL)ETHER, 1,2-ETHANEDIOL, ... | | Authors: | Sethi, R., Zheng, Y., Talon, R., Velupillai, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Ahmed, A.A., von Delft, F. | | Deposit date: | 2016-12-06 | | Release date: | 2017-02-22 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nat Commun, 9, 2018
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5MKV | | CRYSTAL STRUCTURE OF HUMAN DIHYDROPYRIMIDINEASE-LIKE 2 (DPYSL2A)/COLLAPSIN RESPONSE MEDIATOR PROTEIN (CRMP2) RESIDUES 13-516 | | Descriptor: | Dihydropyrimidinase-related protein 2, 1,2-ETHANEDIOL | | Authors: | Sethi, R., Zheng, Y., Krojer, T., Velupillai, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Ahmed, A.A., von Delft, F. | | Deposit date: | 2016-12-05 | | Release date: | 2017-02-22 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nat Commun, 9, 2018
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5NLB | | CRYSTAL STRUCTURE OF HUMAN CUL3 N-TERMINAL DOMAIN BOUND TO KEAP1 BTB AND 3-BOX | | Descriptor: | Kelch-like ECH-associated protein 1, Cullin-3 | | Authors: | Adamson, R., Krojer, T., Pinkas, D.M., Bartual, S.G., Burgess-Brown, N.A., Borkowska, O., Chalk, R., Newman, J.A., Kopec, J., Dixon-Clarke, S.E., Mathea, S., Sethi, R., Velupillai, S., Mackinnon, S., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A. | | Deposit date: | 2017-04-04 | | Release date: | 2017-04-19 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Crystal structure of human CUL3 N-terminal domain bound to KEAP1 BTB and 3-box
To Be Published
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5R4V | | XCHEM FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 IN COMPLEX WITH N13475A | | Descriptor: | ATPase family AAA domain-containing protein 2, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone, SULFATE ION, ... | | Authors: | Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Zhang, R., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | XChem fragment screen
To Be Published
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5R4W | | XCHEM FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 IN COMPLEX WITH N13501A | | Descriptor: | ATPase family AAA domain-containing protein 2, methyl 4-[(trifluoroacetyl)amino]benzoate, SULFATE ION, ... | | Authors: | Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Zhang, R., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | XChem fragment screen
To Be Published
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5R4X | | XCHEM FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 IN COMPLEX WITH N13413A | | Descriptor: | ATPase family AAA domain-containing protein 2, 4-acetyl-N-ethylpiperazine-1-carboxamide, SULFATE ION, ... | | Authors: | Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Zhang, R., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | XChem fragment screen
To Be Published
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5R4Y | | XCHEM FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 IN COMPLEX WITH N13612A | | Descriptor: | ATPase family AAA domain-containing protein 2, cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone, SULFATE ION, ... | | Authors: | Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Zhang, R., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | XChem fragment screen
To Be Published
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5R4Z | | XCHEM FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 IN COMPLEX WITH N13605A | | Descriptor: | ATPase family AAA domain-containing protein 2, ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide, SULFATE ION, ... | | Authors: | Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Zhang, R., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | XChem fragment screen
To Be Published
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3PS4 | | PDZ DOMAIN FROM HUMAN MICROTUBULE-ASSOCIATED SERINE/THREONINE-PROTEIN KINASE 1 | | Descriptor: | Microtubule-associated serine/threonine-protein kinase 1, 1,2-ETHANEDIOL, IMIDAZOLE | | Authors: | Ugochukwu, E., Wang, J., Krojer, T., Muniz, J.R.C., Sethi, R., Pike, A.C.W., Roos, A., Salah, E., Cocking, R., Savitsky, P., Doyle, D.A., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Knapp, S., Elkins, J.M., Structural Genomics Consortium (SGC) | | Deposit date: | 2010-11-30 | | Release date: | 2010-12-29 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1
TO BE PUBLISHED
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5R4G | | PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF IN COMPLEX WITH FMOPL000621A | | Descriptor: | Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate | | Authors: | Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2020-02-24 | | Release date: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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