Author results

2VHS
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CATHSILICATEIN, A CHIMERA
Descriptor:CATHSILICATEIN, SULFATE ION
Authors:Fairhead, M., Kowatz, T., McMahon, S.A., Carter, L.G., Oke, M., Johnson, K.A., Liu, H., Naismith, J.H., Wal, C.F.V.D.
Deposit date:2007-11-24
Release date:2008-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure and Silica Condensing Activities of Silicatein Alpha-Cathepsin L Chimeras.
Chem. Commun., 2008
4BX5
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CIS-DIVALENT STREPTAVIDIN
Descriptor:STREPTAVIDIN, 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL
Authors:Fairhead, M., Krndija, D., Lowe, E.D., Howarth, M.
Deposit date:2013-07-08
Release date:2013-09-25
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (1.431 Å)
Cite:Plug-and-Play Pairing Via Defined Divalent Streptavidins.
J.Mol.Biol., 426, 2014
4BX6
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TRANS-DIVALENT STREPTAVIDIN
Descriptor:STREPTAVIDIN, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Fairhead, M., Krndija, D., Lowe, E.D., Howarth, M.
Deposit date:2013-07-08
Release date:2013-09-25
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Plug-and-Play Pairing Via Defined Divalent Streptavidins.
J.Mol.Biol., 426, 2014
4BX7
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TRANS-DIVALENT STREPTAVIDIN BOUND TO BIOTIN-4-FLUORESCEIN
Descriptor:STREPTAVIDIN, (4S)-2-METHYL-2,4-PENTANEDIOL, biotin-4-fluorescein
Authors:Fairhead, M., Krndija, D., Lowe, E.D., Howarth, M.
Deposit date:2013-07-08
Release date:2013-09-25
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Plug-and-Play Pairing Via Defined Divalent Streptavidins.
J.Mol.Biol., 426, 2014
4CPE
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WILD-TYPE STREPTAVIDIN IN COMPLEX WITH LOVE-HATE LIGAND 1 (LH1)
Descriptor:STREPTAVIDIN, (3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide
Authors:Fairhead, M., Shen, D., Chan, L.K.M., Lowe, E.D., Donohoe, T.J., Howarth, M.
Deposit date:2014-02-06
Release date:2014-08-06
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
4CPF
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WILD-TYPE STREPTAVIDIN IN COMPLEX WITH LOVE-HATE LIGAND 3 (LH3)
Descriptor:STREPTAVIDIN, methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate
Authors:Fairhead, M., Shen, D., Chan, L.K.M., Lowe, E.D., Donohoe, T.J., Howarth, M.
Deposit date:2014-02-06
Release date:2014-08-06
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
4CPH
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TRANS-DIVALENT STREPTAVIDIN WITH LOVE-HATE LIGAND 4
Descriptor:STREPTAVIDIN, 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide
Authors:Fairhead, M., Shen, D., Chan, L.K.M., Lowe, E.D., Donohoe, T.J., Howarth, M.
Deposit date:2014-02-06
Release date:2014-08-06
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
4CPI
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STREPTAVIDIN A86D MUTANT WITH LOVE-HATE LIGAND 4
Descriptor:STREPTAVIDIN, 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide, DI(HYDROXYETHYL)ETHER, ...
Authors:Fairhead, M., Shen, D., Chan, L.K.M., Lowe, E.D., Donohoe, T.J., Howarth, M.
Deposit date:2014-02-06
Release date:2014-08-06
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
6GQD
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STRUCTURE OF HUMAN GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE (GALT), WITH CRYSTALLIZATION EPITOPE MUTATIONS A21Y:A22T:T23P:R25L
Descriptor:Galactose-1-phosphate uridylyltransferase, ZINC ION, 1,2-ETHANEDIOL, ...
Authors:Fairhead, M., Strain-Damerell, C., Kopec, J., Bezerra, G.A., Zhang, M., Burgess-Brown, N., von Delft, F., Arrowsmith, C., Edwards, A., Bountra, C., Yue, W.W., Structural Genomics Consortium (SGC)
Deposit date:2018-06-07
Release date:2018-07-18
Method:X-RAY DIFFRACTION (1.523 Å)
Cite:Structure of human galactose-1-phosphate uridylyltransferase (GALT), with crystallization epitope mutations A21Y:A22T:T23P:R25L
To Be Published
4UEG
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CRYSTAL STRUCTURE OF HUMAN GLYCOGENIN-2 CATALYTIC DOMAIN
Descriptor:GLYCOGENIN-2, MAGNESIUM ION
Authors:Fairhead, M., Strain-Damerell, C., Krojer, T., Froese, D.S., Kopec, J., Nowak, R., Burgess-Brown, N., von Delft, F., Arrowsmith, C., Edwards, A., Bountra, C., Yue, W.W.
Deposit date:2014-12-17
Release date:2014-12-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of Human Glycogenin-2 Catalytic Domain
To be Published
6G8R
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SP140 PHD-BROMODOMAIN COMPLEX WITH SCFV
Descriptor:short-chain variable fragment, Nuclear body protein SP140, 1,2-ETHANEDIOL, ...
Authors:Fairhead, M., Graslund, S., Strain-Damerell, C., Picaud, S.S., Pike, A.C.W., Pinkas, D.M., Wigren, E., Preger, C., Persson Lotsholm, H., Ossipova, E., Filippakopoulos, P., Burgess-Brown, N.A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2018-04-09
Release date:2018-04-18
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:SP140 PHD-Bromodomain complex with scFv
To Be Published
5FZO
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JMJD1C
Descriptor:PROBABLE JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROT EIN 2C, MANGANESE (II) ION, CHLORIDE ION, ...
Authors:Nowak, R., Talon, R., Krojer, T., Goubin, S., McDonough, M., Fairhead, M., Oppermann, U., Johansson, C.
Deposit date:2016-03-15
Release date:2016-03-30
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jmjd1C
To be Published
4UY4
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1.86 A STRUCTURE OF HUMAN SPINDLIN-4 PROTEIN IN COMPLEX WITH HISTONE H3K4ME3 PEPTIDE
Descriptor:SPINDLIN-4, HISTONE H3K4ME3, GLYCEROL
Authors:Talon, R., Gileadi, C., Johansson, C., Burgess-Brown, N., Shrestha, L., von Delft, F., Krojer, T., Fairhead, M., Bountra, C., Arrowsmith, C.H., Edwards, A., Oppermann, U.
Deposit date:2014-08-28
Release date:2014-09-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:1.86 A Structure of Human Spindlin-4 Protein in Complex with Histone H3K4Me3 Peptide
To be Published
4UYI
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CRYSTAL STRUCTURE OF THE BTB DOMAIN OF HUMAN SLX4 (BTBD12)
Descriptor:STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4
Authors:Pinkas, D.M., Sanvitale, C.E., Strain-Damerell, C., Fairhead, M., Wang, D., Tallant, C., Cooper, C.D.O., Sorrell, F.J., Kopec, J., Chaikuad, A., Fitzpatrick, F., Pike, A.C.W., Hozjan, V., Ying, Z., Roos, A.K., Savitsky, P., Bradley, A., Nowak, R., Filippakopoulos, P., Krojer, T., Burgess-Brown, N.A., Marsden, B.D., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2014-09-01
Release date:2014-10-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of the Btb Domain of Human Slx4 (Btbd12)
To be Published
5AME
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN SURFACE EPITOPE ENGINEERED BRD1A IN COMPLEX WITH 3D CONSORTIUM FRAGMENT 4-ACETYL- PIPERAZIN-2-ONE (SGC - DIAMOND I04-1 FRAGMENT SCREENING)
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 1, 4-acetyl-piperazin-2-one, SODIUM ION
Authors:Pearce, N.M., Fairhead, M., Strain-Damerell, C., Talon, R., Wright, N., Ng, J.T., Bradley, A., Cox, O., Bowkett, D., Collins, P., Brandao-Neto, J., Douangamath, A., Krojer, T., Burgess-Brown, N., Brennan, P., Arrowsmith, C.H., Edwards, E., Bountra, C., von Delft, F.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
5AMF
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN SURFACE EPITOPE ENGINEERED BRD1A IN COMPLEX WITH 3D CONSORTIUM FRAGMENT ETHYL 4,5,6,7- TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE (SGC - DIAMOND I04-1 FRAGMENT SCREENING)
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION
Authors:Pearce, N.M., Fairhead, M., Strain-Damerell, C., Talon, R., Wright, N., Ng, J.T., Bradley, A., Cox, O., Bowkett, D., Collins, P., Brandao-Neto, J., Douangamath, A., Krojer, T., Burgess-Brown, N., Brennan, P., Arrowsmith, C.H., Edwards, E., Bountra, C., von Delft, F.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
5O33
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A STRUCTURE OF THE GEF KALIRIN DH1 DOMAIN IN COMPLEX WITH THE SMALL GTPASE RAC1
Descriptor:Ras-related C3 botulinum toxin substrate 1, Kalirin, 1,2-ETHANEDIOL, ...
Authors:Gray, J., Krojer, T., Talon, R., Fairhead, M., Bountra, C., Arrowsmith, C.H., Edwards, A., Brennan, P., von Delft, F.
Deposit date:2017-05-23
Release date:2017-05-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1
To Be Published
6FAE
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THE SEC7 DOMAIN OF IQSEC2 (BRAG1) IN COMPLEX WITH THE SMALL GTPASE ARF1
Descriptor:IQ motif and SEC7 domain-containing protein 2, ADP-ribosylation factor 1, 1,2-ETHANEDIOL
Authors:Gray, J., Krojer, T., Fairhead, M., Bountra, C., Arrowsmith, C.H., Edwards, A., Brennan, P., von Delft, F.
Deposit date:2017-12-15
Release date:2018-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Sec7 domain of IQSEC2 (Brag1) in complex with the small GTPase Arf1
To Be Published
6GY5
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CRYSTAL STRUCTURE OF THE KELCH DOMAIN OF HUMAN KLHL20 IN COMPLEX WITH DAPK1 PEPTIDE
Descriptor:Kelch-like protein 20, Death-associated protein kinase 1, CHLORIDE ION, ...
Authors:Chen, Z., Hozjan, V., Strain-Damerell, C., Williams, E., Wang, D., Cooper, C.D.O., Sanvitale, C.E., Fairhead, M., Carpenter, E.P., Pike, A.C.W., Krojer, T., Srikannathasan, V., Sorrell, F., Johansson, C., Mathea, S., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2018-06-28
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.086 Å)
Cite:Crystal structure of the kelch domain of human KLHL20 in complex with DAPK1 peptide
To Be Published
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
5PBA
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF BAZ2B IN COMPLEX WITH N09460A
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
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 (1.925 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PBB
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF BAZ2B IN COMPLEX WITH N09496A
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, quinolin-4-ol
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 (1.783 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PBC
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF BAZ2B IN COMPLEX WITH N09724A
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, 4-bromo-1H-imidazole
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 (1.771 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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