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3S95
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BU of 3s95 by Molmil
Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
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
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:2025-02-26
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.
Nat Commun, 16, 2025
8A10
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BU of 8a10 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
Descriptor: 5-[[(3S)-1-(2-chlorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-2-methyl-benzamide, T-box transcription factor T
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-05-30
Release date:2022-07-13
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.
Nat Commun, 16, 2025
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
2IZS
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BU of 2izs by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
Descriptor: CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-07-26
Release date:2006-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibitor Binding by Casein Kinases
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
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:2024-10-09
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
6QB5
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BU of 6qb5 by Molmil
Crystal structure of the N-terminal region of human cohesin subunit STAG1
Descriptor: Cohesin subunit SA-1, SODIUM ION
Authors:Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-12-20
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
6TT5
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BU of 6tt5 by Molmil
Crystal structure of DCLRE1C/Artemis
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ...
Authors:Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-12-23
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
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
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
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
6TXS
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BU of 6txs by Molmil
The structure of the FERM domain and helical linker of human moesin bound to a CD44 peptide
Descriptor: CD44 antigen, Moesin
Authors:Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-14
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
6TXQ
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BU of 6txq by Molmil
The high resolution structure of the FERM domain and helical linker of human moesin
Descriptor: ACETATE ION, Moesin
Authors:Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-14
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
2V1X
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BU of 2v1x by Molmil
Crystal structure of human RECQ-like DNA helicase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT DNA HELICASE Q1, ...
Authors:Pike, A.C.W, Shrestha, B, Burgess-Brown, N, King, O, Ugochukwu, E, Watt, S, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Gileadi, O.
Deposit date:2007-05-30
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Human Recq1 Helicase Reveals a Putative Strand-Separation Pin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2Q3H
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BU of 2q3h by Molmil
The crystal structure of RhouA in the GDP-bound state.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras homolog gene family, ...
Authors:Gileadi, C, Yang, X, Papagrigoriou, E, Elkins, J, Zhao, Y, Bray, J, Gileadi, O, Umeano, C, Ugochukwu, E, Uppenberg, J, Bunkoczi, G, von Delft, F, Pike, A.C.W, Phillips, C, Savitsky, P, Fedorov, O, Edwards, A, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The crystal structure of RhouA in the GDP-bound state.
To be Published
2OZF
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BU of 2ozf by Molmil
The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1)
Descriptor: Ezrin-radixin-moesin-binding phosphoprotein 50
Authors:Phillips, C, Papagrigoriou, E, Gileadi, C, Fedorov, O, Elkins, J, Berridge, G, Turnbull, A.P, Gileadi, O, Schoch, G, Smee, C, Bray, J, Savitsky, P, Uppenberg, J, von Delft, F, Gorrec, F, Umeano, C, Salah, E, Colebrook, S, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-02-26
Release date:2007-03-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1)
To be Published
2C2H
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BU of 2c2h by Molmil
CRYSTAL STRUCTURE OF THE HUMAN RAC3 IN COMPLEX WITH GDP
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Debreczeni, J.E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, von Delft, F, Doyle, D, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A.
Deposit date:2005-09-29
Release date:2005-10-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the Human Rac3 in Complex with Gdp
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:2024-10-23
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
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:2024-11-13
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
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:2024-11-20
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

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