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4PTB
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BU of 4ptb by Molmil
Crystal structure of human SP100 PHD-Bromodomain in the free state
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
Authors:Tallant, C, Nunez-Alonso, G, Savitsky, P, Newman, J, Krojer, T, Szykowska, A, Burgess-Brown, N, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2014-03-10
Release date:2014-04-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human SP100 PHD-Bromodomain in the free state
To be Published
9GP4
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BU of 9gp4 by Molmil
Jumonji domain-containing protein 2A with crystallization epitope mutations Q953E:A958D
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4A, SULFATE ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-09-06
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
9GP1
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BU of 9gp1 by Molmil
Jumonji domain-containing protein 2A with crystallization epitope mutatios K330R:A334E
Descriptor: Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-09-06
Release date:2024-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
2PQ5
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BU of 2pq5 by Molmil
Crystal structure of Dual specificity protein phosphatase 13 (DUSP13)
Descriptor: Dual specificity protein phosphatase 13
Authors:Ugochukwu, E, Salah, E, Savitsky, P, Barr, A, Pantic, N, Niesen, F, Burgess-Brown, N, Berridge, G, Bunkoczi, G, Uppenberg, J, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-05-01
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Dual specificity protein phosphatase 13 (DUSP13).
To be Published
5AME
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BU of 5ame by Molmil
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: 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, 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:2024-05-01
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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BU of 5amf by Molmil
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:2024-05-01
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
3FKC
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BU of 3fkc by Molmil
Crystal Structure of Human Zinc finger and BTB domain containing 33
Descriptor: Transcriptional regulator Kaiso
Authors:Filippakopoulos, P, Bullock, A, Keates, T, Burgess-Brown, N, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-12-16
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human Zinc finger and BTB domain containing 33
To be Published
3FMD
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BU of 3fmd by Molmil
Crystal Structure of Human Haspin with an Isoquinoline ligand
Descriptor: 1,2-ETHANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, NICKEL (II) ION, ...
Authors:Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-12-21
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Haspin with an Isoquinoline ligand
To be Published
3GP0
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BU of 3gp0 by Molmil
Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 11, ...
Authors:Filippakopoulos, P, Barr, A, Fedorov, O, Keates, T, Soundararajan, M, Elkins, J, Salah, E, Burgess-Brown, N, Ugochukwu, E, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-03-20
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
To be Published
3G0L
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BU of 3g0l by Molmil
Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Filippakopoulos, P, Keates, T, Salah, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-01-28
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B)
To be Published
3F2N
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BU of 3f2n by Molmil
Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand
Descriptor: (2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
Authors:Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Yue, W.W, Murray, J.W, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-10-30
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand
To be Published
8RU1
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BU of 8ru1 by Molmil
Chromatin remodeling regulator CECR2 with in crystallo disulfide bond
Descriptor: Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-01-29
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
3E7V
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BU of 3e7v by Molmil
Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
Descriptor: 1,2-ETHANEDIOL, 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine, NICKEL (II) ION, ...
Authors:Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
To be Published
2PPI
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BU of 2ppi by Molmil
Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin
Descriptor: Gigaxonin
Authors:Amos, A, Turnbull, A.P, Tickle, J, Keates, T, Bullock, A, Savitsky, P, Burgess-Brown, N, Debreczeni, J.E, Ugochukwu, E, Umeano, C, Pike, A.C.W, Papagrigoriou, E, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-04-30
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin.
To be Published
2QME
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BU of 2qme by Molmil
Crystal structure of human RAC3 in complex with CRIB domain of human p21-activated kinase 1 (PAK1)
Descriptor: CRIB domain of the Serine/threonine-protein kinase PAK 1, GLYCEROL, MAGNESIUM ION, ...
Authors:Ugochukwu, E, Yang, X, Elkins, J.M, Burgess-Brown, N, Bunkoczi, G, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-07-16
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 1 (PAK1).
To be Published
2OV2
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BU of 2ov2 by Molmil
The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Ugochukwu, E, Yang, X, Elkins, J.M, Burgess-Brown, N, Bunkoczi, G, Debreczeni, J.E.D, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-02-12
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
To be Published
5MR1
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BU of 5mr1 by Molmil
Crystal structure of the Pleckstrin homology domain of Interactor protein for cytohesin exchange factors 1 (IPCEF1)
Descriptor: Interactor protein for cytohesin exchange factors 1
Authors:Newman, J.A, Aitkenhead, H, Wang, D, Burgess-Brown, N, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2016-12-21
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the Pleckstrin homology domain of Interactor protein for cytohesin exchange factors 1 (IPCEF1)
To be published
5MPO
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BU of 5mpo by Molmil
Crystal structure of human molybdopterin synthase complex
Descriptor: Molybdopterin synthase catalytic subunit, Molybdopterin synthase sulfur carrier subunit
Authors:Kopec, J, Bailey, H, Fitzpatrick, F, Strain-Damerell, C, Oberholzer, A.E, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2016-12-16
Release date:2016-12-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal structure of human molybdopterin synthase complex
To Be Published
5LF9
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BU of 5lf9 by Molmil
Crystal structure of human NUDT22
Descriptor: Nucleoside diphosphate-linked moiety X motif 22
Authors:Tallant, C, Siejka, P, Mathea, S, Shrestha, L, Krojer, T, Srikannathasan, V, Elkins, J.M, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2016-06-30
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of human NUDT22
To Be Published
6Z36
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BU of 6z36 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2020-05-19
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
To Be Published
7A21
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BU of 7a21 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2020-08-14
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153
To Be Published
5CLW
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BU of 5clw by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
Descriptor: 1,4-alpha-glucan-branching enzyme, SODIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
To be published
5CLT
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BU of 5clt by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
Descriptor: 1,4-alpha-glucan-branching enzyme, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
2VSV
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BU of 2vsv by Molmil
Crystal structure of the PDZ domain of human rhophilin-2
Descriptor: RHOPHILIN-2
Authors:Pike, A.C.W, Kochan, G, Sun, Z, Shafqat, N, Pilka, E.S, Roos, A, Elkins, J, Burgess-Brown, N, Murray, J.W, von Delft, F, Wikstrom, M, Edwards, A, Arrowsmith, C.H, Bountra, C, Oppermann, U.
Deposit date:2008-04-29
Release date:2008-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure of the Pdz Domain of Human Rhophilin-2
To be Published
2VSW
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BU of 2vsw by Molmil
The structure of the rhodanese domain of the human dual specificity phosphatase 16
Descriptor: DUAL SPECIFICITY PROTEIN PHOSPHATASE 16
Authors:Murray, J.W, Barr, A, Pike, A.C.W, Elkins, J, Phillips, C, Wang, J, Savitsky, P, Roos, A, Bishop, S, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Burgess-Brown, N, Pantic, N, Bray, J, von Delft, F, Gileadi, O, Knapp, S.
Deposit date:2008-04-30
Release date:2008-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Rhodanese Domain of the Human Dual Specifity Phosphatase 16
To be Published

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