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5WAX
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BU of 5wax by Molmil
Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10)
Descriptor: GLYCEROL, SAPK10 (serine/threonine-protein kinase 10)
Authors:Righetto, G.L, Counago, R.M, Halabelian, L, Santiago, A.S, Massirer, K.B, Arruda, P, Gileadi, O, Menossi, M, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2017-06-27
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10)
To Be Published
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: T-box transcription factor T, UNKNOWN LIGAND
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
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
To Be Published
8A7N
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BU of 8a7n by Molmil
Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
Descriptor: N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, 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:2022-06-21
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
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
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
3B76
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BU of 3b76 by Molmil
Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase LNX, SODIUM ION
Authors:Ugochukwu, E, Burgess-Brown, N, Berridge, G, Elkins, J, Bunkoczi, G, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Gileadi, O, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-10-30
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor.
To be Published
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
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:2021-10-20
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
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
6YHR
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BU of 6yhr by Molmil
Crystal structure of Werner syndrome helicase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Werner syndrome ATP-dependent helicase, ZINC ION
Authors:Newman, J.A, Gavard, A.E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-03-30
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the helicase core of Werner helicase, a key target in microsatellite instability cancers.
Life Sci Alliance, 4, 2021
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
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
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
5HVQ
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BU of 5hvq by Molmil
Alternative model of the MAGE-G1 NSE-1 complex
Descriptor: Melanoma-associated antigen G1, Non-structural maintenance of chromosomes element 1 homolog, ZINC ION
Authors:Newman, J.A, Cooper, C.D.O, Roos, A.K, Aitkenhead, H, Oppermann, U.C.T, Cho, H.J, Osman, R, Gileadi, O.
Deposit date:2016-01-28
Release date:2016-10-26
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
5I3O
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BU of 5i3o by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION
Authors:Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-02-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
5I3R
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BU of 5i3r by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION
Authors:Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-02-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
5IKW
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BU of 5ikw by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide
Authors:Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-03-04
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A
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
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
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:2011-07-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The crystal structure of RhouA in the GDP-bound state.
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

217705

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