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5UU1
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BU of 5uu1 by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to BI-D1870
Descriptor: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase VRK2
Authors:Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-15
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
5UVF
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BU of 5uvf by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870
Descriptor: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-20
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
5UYJ
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BU of 5uyj by Molmil
Crystal Structure of the Human CAMKK2B
Descriptor: 2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2
Authors:Counago, R.M, Drewry, D, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-24
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Human CAMKK2B
To Be Published
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
2REY
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BU of 2rey by Molmil
Crystal structure of the PDZ domain of human dishevelled 2 (homologous to Drosophila dsh)
Descriptor: Segment polarity protein dishevelled homolog DVL-2
Authors:Papagrigoriou, E, Gileadi, C, Elkins, J, Cooper, C, Ugochukwu, E, Turnbull, A, Pike, A.C.W, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-09-27
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the PDZ domains of human dishevelled 2 (homologous to Drosophila dsh).
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
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
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
5OCN
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BU of 5ocn by Molmil
Crystal structure of the forkhead domain of human FOXN1
Descriptor: Forkhead box protein N1, POTASSIUM ION
Authors:Newman, J.A, Aitkenhead, H, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-07-03
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the forkhead domain of human FOXN1
To be published
5NZX
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BU of 5nzx by Molmil
Crystal structure of DNA cross-link repair protein 1A in complex with Ceftriaxone (alternative site)
Descriptor: Ceftriaxone, DNA cross-link repair 1A protein, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Kupinska, K, Burgess-Brown, N.A, Talon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-15
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of DNA cross-link repair protein 1A in complex with Ceftriaxone (alternative site)
To Be Published
5NZW
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BU of 5nzw by Molmil
Crystal structure of DNA cross-link repair protein 1A in complex with ceftriaxone
Descriptor: Ceftriaxone, DNA cross-link repair 1A protein, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Kupinska, K, Burgess-Brown, N.A, Talon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-15
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of DNA cross-link repair protein 1A in complex with ceftriaxone
To Be Published
5NZY
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BU of 5nzy by Molmil
Crystal structure of DNA cross-link repair protein 1A in complex with Cefotaxime
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, DNA cross-link repair 1A protein, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Kupinska, K, Burgess-Brown, N.A, Talon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-15
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of DNA cross-link repair protein 1A in complex with Cefotaxime
To Be Published
5LBA
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BU of 5lba by Molmil
Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening.
Descriptor: 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ...
Authors:Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-06-15
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
5LB3
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BU of 5lb3 by Molmil
Crystal structure of human RECQL5 helicase in complex with ADP/Mg.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, MAGNESIUM ION, ...
Authors:Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-06-15
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
5LB8
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BU of 5lb8 by Molmil
Crystal structure of human RECQL5 helicase APO form.
Descriptor: ATP-dependent DNA helicase Q5, ZINC ION
Authors:Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-06-15
Release date:2016-07-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
5LB5
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BU of 5lb5 by Molmil
Crystal structure of human RECQL5 helicase in complex with ADP/Mg (tricilinc form).
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, DIMETHYL SULFOXIDE, ...
Authors:Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-06-15
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
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
2OCS
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BU of 2ocs by Molmil
The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2)
Descriptor: 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2, THIOCYANATE ION
Authors:Papagrigoriou, E, Phillips, C, Gileadi, C, Elkins, J, Salah, E, Berridge, G, Savitsky, P, Gorrec, F, Umeano, C, Ugochukwu, E, Gileadi, O, Burgess, N, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-12-21
Release date:2007-01-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2)
To be Published
2OPG
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BU of 2opg by Molmil
The crystal structure of the 10th PDZ domain of MPDZ
Descriptor: Multiple PDZ domain protein, SODIUM ION
Authors:Gileadi, C, Phillips, C, Elkins, J, Papagrigoriou, E, Ugochukwu, E, Gorrec, F, Savitsky, P, Umeano, C, Berridge, G, Gileadi, O, Salah, E, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-01-29
Release date:2007-02-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of the 10th PDZ domain of MPDZ
To be Published
2P0A
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BU of 2p0a by Molmil
The crystal structure of human synapsin III (SYN3) in complex with AMPPNP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Turnbull, A.P, Phillips, C, Pike, A.C.W, Elkins, J.M, Gileadi, C, Salah, E, Niesen, F.H, Burgess, N, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-02-28
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human synapsin III (SYN3) in complex with AMPPNP
To be Published
2WWY
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BU of 2wwy by Molmil
Structure of human RECQ-like helicase in complex with a DNA substrate
Descriptor: 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ...
Authors:Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2009-10-30
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures
Proc.Natl.Acad.Sci.USA, 112, 2015
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
3UVJ
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BU of 3uvj by Molmil
Crystal structure of the catalytic domain of the heterodimeric human soluble guanylate cyclase 1.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Guanylate cyclase soluble subunit alpha-3, ...
Authors:Allerston, C.K, Berridge, G, Chalk, R, Cooper, C.D.O, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2011-11-30
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structures of the catalytic domain of human soluble guanylate cyclase.
Plos One, 8, 2013
2IZR
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BU of 2izr 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 (1.3 Å)
Cite:Inhibitor Binding by Casein Kinases
To be Published
2IZU
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BU of 2izu by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, CASEIN KINASE I ISOFORM GAMMA-3, ...
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 (1.85 Å)
Cite:Inhibitor Binding by Casein Kinases
To be Published

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