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4UNO
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BU of 4uno by Molmil
Crystal structure of the ETS domain of human ETV5 in complex with DNA
Descriptor: 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3', CALCIUM ION, ...
Authors:Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, Shrestha, L, Burgess-Brown, N, Kopec, J, Fitzpatrick, F, Tallant, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O.
Deposit date:2014-05-29
Release date:2014-06-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
3KVW
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BU of 3kvw by Molmil
Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand
Descriptor: (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-11-30
Release date:2010-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand
To be Published
4UUV
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BU of 4uuv by Molmil
Structure of the DNA binding ETS domain of human ETV4 in complex with DNA
Descriptor: 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3', ETS TRANSLOCATION VARIANT 4
Authors:Newman, J.A, Cooper, C.D.O, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2014-07-31
Release date:2014-08-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
6F59
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BU of 6f59 by Molmil
Crystal structure of human Brachyury (T) G177D variant in complex with DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Brachyury protein, DNA (26-MER), ...
Authors:Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-12-01
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Crystal structure of human Brachyury (T) G177D variant in complex with DNA
To Be Published
6F58
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BU of 6f58 by Molmil
Crystal structure of human Brachyury (T) in complex with DNA
Descriptor: Brachyury protein, DNA (5'-D(*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP*AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*TP*T)-3'), SODIUM ION
Authors:Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-12-01
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Crystal structure of human Brachyury (T) in complex with DNA
To Be Published
2AW5
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BU of 2aw5 by Molmil
Crystal structure of a human malic enzyme
Descriptor: NADP-dependent malic enzyme
Authors:Papagrigoriou, E, Berridge, G, Smee, C, Bray, J, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Gileadi, O, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2005-08-31
Release date:2005-09-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a human malic enzyme
To be published
7B9B
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BU of 7b9b by Molmil
Crystal structure of human 5' exonuclease Appollo APO form
Descriptor: 5' exonuclease Apollo, NICKEL (II) ION
Authors:Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-12-14
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
8CDN
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BU of 8cdn by Molmil
Crystal structure of human Brachyury in complex with a single T box binding element DNA
Descriptor: DNA (5'-D(*AP*GP*GP*CP*TP*CP*AP*CP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*GP*TP*GP*AP*GP*CP*CP*T)-3'), T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, von Delft, F, Gileadi, O, Bountra, C.
Deposit date:2023-01-31
Release date:2023-03-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of human Brachyury in complex with a single T box binding element DNA
To Be Published
4DYM
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BU of 4dym by Molmil
Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
Descriptor: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ...
Authors:Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2012-02-29
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
4MHV
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BU of 4mhv by Molmil
Crystal structure of the PNT domain of human ETS2
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Newman, J.A, Cooper, C.D.O, Krojer, T, Shrestha, L, Burgess-brown, N, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O.
Deposit date:2013-08-30
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of the PNT domain of human ETS2
To be Published
4V0P
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BU of 4v0p by Molmil
Crystal structure of the MAGE homology domain of human MAGE-A3
Descriptor: MELANOMA-ASSOCIATED ANTIGEN 3
Authors:Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2014-09-17
Release date:2014-10-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
2X7G
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BU of 2x7g by Molmil
Structure of human serine-arginine-rich protein-specific kinase 2 (SRPK2) bound to purvalanol B
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, PURVALANOL B, ...
Authors:Pike, A.C.W, Savitsky, P, Fedorov, O, Krojer, T, Ugochukwu, E, von Delft, F, Gileadi, O, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S.
Deposit date:2010-02-26
Release date:2010-04-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Human Serine-Arginine-Rich Protein- Specific Kinase 2 (Srpk2) Bound to Purvalanol B
To be Published
2X7F
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BU of 2x7f by Molmil
Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor
Descriptor: 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE
Authors:Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor
To be Published
6XTJ
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BU of 6xtj by Molmil
The high resolution structure of the FERM domain of human FERMT2
Descriptor: CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-16
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The high resolution structure of the FERM domain of human FERMT2
To Be Published
6XY7
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BU of 6xy7 by Molmil
Human SHIP1 with magnesium and phosphate bound to the active site
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bradshaw, W.J, Scacioc, A, Fernandez-Cid, A, Mckinley, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-01-29
Release date:2020-02-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.086 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
4CVO
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BU of 4cvo by Molmil
Crystal structure of the N-terminal colied-coil domain of human DNA excision repair protein ERCC-6
Descriptor: DNA EXCISION REPAIR PROTEIN ERCC-6, MAGNESIUM ION
Authors:Newman, J.A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2014-03-28
Release date:2014-04-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the N-Terminal Colied-Coil Domain of Human DNA Excision Repair Protein Ercc-6
To be Published
6IBE
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BU of 6ibe by Molmil
The FERM domain of Human EPB41L3
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Band 4.1-like protein 3
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-11-29
Release date:2018-12-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The FERM domain of Human EPB41L3
To Be Published
4CO8
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BU of 4co8 by Molmil
Structure of the DNA binding ETS domain of human ETV4
Descriptor: 1,2-ETHANEDIOL, ETS TRANSLOCATION VARIANT 4
Authors:Newman, J.A, Cooper, C.D.O, Shrestha, L, Burgess-Brown, N, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2014-01-27
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
6IBD
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BU of 6ibd by Molmil
The Phosphatase and C2 domains of Human SHIP1
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Williams, E.P, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-11-29
Release date:2019-01-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
1YB5
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BU of 1yb5 by Molmil
Crystal structure of human Zeta-Crystallin with bound NADP
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Debreczeni, J, Berridge, G, Kavanagh, K, Colbrook, S, Bray, J, Williams, L, Oppermann, U, Sundstrom, M, Arrowsmith, C, Edwards, A, Gileadi, O, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2004-12-20
Release date:2004-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of human Zeta-Crystallin at 1.85A
To be Published
6EL8
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BU of 6el8 by Molmil
Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA
Descriptor: DNA (5'-D(*GP*GP*TP*GP*GP*CP*GP*TP*CP*TP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*AP*GP*AP*CP*GP*CP*CP*AP*CP*C)-3'), Forkhead box protein N1
Authors:Newman, J.A, Aitkenhead, H.A, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-09-28
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA
To be published
4U7D
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BU of 4u7d by Molmil
Structure of human RECQ-like helicase in complex with an oligonucleotide
Descriptor: ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION
Authors:Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures.
Proc.Natl.Acad.Sci.USA, 112, 2015
7NIO
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BU of 7nio by Molmil
Crystal structure of the SARS-CoV-2 helicase APO form
Descriptor: SARS-CoV-2 helicase NSP13, ZINC ION
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-12
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7NN0
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BU of 7nn0 by Molmil
Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ...
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-23
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7NNG
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BU of 7nng by Molmil
Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104
Descriptor: 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid, PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ...
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-24
Release date:2021-04-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021

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