Author results

5QIO
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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
5QIP
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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
5QIQ
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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
5QIR
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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
5QIS
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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
5QIT
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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
5QIU
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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
5QIV
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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
5QIW
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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
5QIX
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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
5QIY
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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
5QIZ
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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
3V8O
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HUMAN FILAMIN C IG - LIKE DOMAINS 4 AND 5
Descriptor:Filamin-C, POTASSIUM ION
Authors:Sethi, R., Ylanne, J.
Deposit date:2011-12-23
Release date:2013-07-17
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel structural unit in the N-terminal region of filamins.
J.Biol.Chem., 289, 2014
4MGX
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CRYSTAL STRUCTURE OF HUMAN FILAMIN C DOMAINS 4-5 AND GPIB ALPHA CYTOPLASMIC DOMAIN COMPLEX
Descriptor:Filamin-C, Platelet glycoprotein Ib alpha chain
Authors:Sethi, R., Ylanne, J.
Deposit date:2013-08-29
Release date:2014-02-05
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:A Novel Structural Unit in the N-terminal Region of Filamins.
J.Biol.Chem., 289, 2014
6ROG
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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
5MLE
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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
5MKV
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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
5NLB
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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
3PS4
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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
2Y05
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CRYSTAL STRUCTURE OF HUMAN LEUKOTRIENE B4 12-HYDROXYDEHYDROGENASE IN COMPLEX WITH NADP AND RALOXIFENE
Descriptor:PROSTAGLANDIN REDUCTASE 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RALOXIFENE, ...
Authors:Yue, W.W., Shafqat, N., Krojer, T., Pike, A.C.W., von Delft, F., Sethi, R., Savitsky, P., Johansson, C., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2010-11-30
Release date:2011-01-26
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene
To be Published
3K2J
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CRYSTAL STRUCTURE OF THE 3RD BROMODOMAIN OF HUMAN POLY-BROMODOMAIN CONTAINING PROTEIN 1 (PB1)
Descriptor:Protein polybromo-1, CHLORIDE ION, SULFATE ION
Authors:Filippakopoulos, P., Picaud, S., Keates, T., Chaikuad, A., Pike, A.C.W., Krojer, T., Sethi, R., von Delft, F., Arrowsmith, C.H., Edwards, A., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2009-09-30
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
To be Published
4M9P
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CRYSTAL STRUCTURE OF THE HUMAN FILAMIN A IG-LIKE DOMAINS 3-5
Descriptor:Filamin-A
Authors:Seppala, J., Pentikainen, U., Ylanne, J.
Deposit date:2013-08-15
Release date:2014-02-05
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A Novel Structural Unit in the N-terminal Region of Filamins.
J.Biol.Chem., 289, 2014
5PB7
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF BAZ2B IN COMPLEX WITH N09440A
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, 1~{H}-indazol-5-amine
Authors:Pearce, N.M., Krojer, T., Talon, R., Bradley, A.R., Fairhead, M., Sethi, R., Wright, N., MacLean, E., Collins, P., Brandao-Neto, J., Douangamath, A., Renjie, Z., Dias, A., Vollmar, M., Ng, J., Brennan, P.E., Cox, O., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-15
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PB8
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF BAZ2B IN COMPLEX WITH N09522A
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, P-HYDROXYACETOPHENONE
Authors:Pearce, N.M., Krojer, T., Talon, R., Bradley, A.R., Fairhead, M., Sethi, R., Wright, N., MacLean, E., Collins, P., Brandao-Neto, J., Douangamath, A., Renjie, Z., Dias, A., Vollmar, M., Ng, J., Brennan, P.E., Cox, O., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-15
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PB9
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF BAZ2B IN COMPLEX WITH N09521A
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, 1-(3-hydroxyphenyl)ethanone
Authors:Pearce, N.M., Krojer, T., Talon, R., Bradley, A.R., Fairhead, M., Sethi, R., Wright, N., MacLean, E., Collins, P., Brandao-Neto, J., Douangamath, A., Renjie, Z., Dias, A., Vollmar, M., Ng, J., Brennan, P.E., Cox, O., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-15
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017