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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
5LTU
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BU of 5ltu by Molmil
Crystal Structure of NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
Descriptor: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2
Authors:Srikannathasan, V, Nunez, C.A, Tallant, C, Siejka, P, Mathea, S, Newman, J, Strain-Damerell, C, Elkins, J.M, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.
Deposit date:2016-09-07
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structure of Human NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
To Be Published
5LF8
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BU of 5lf8 by Molmil
Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17)
Descriptor: ETHYL MERCURY ION, Nucleoside diphosphate-linked moiety X motif 17, PHOSPHATE ION
Authors:Mathea, S, Tallant, C, Salah, E, Wang, D, Velupillai, S, Nowak, R, Oerum, S, Krojer, T, 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:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17)
To Be Published
4BZY
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BU of 4bzy by Molmil
Crystal structure of human glycogen branching enzyme (GBE1)
Descriptor: 1,4-ALPHA-GLUCAN-BRANCHING ENZYME
Authors:Froese, D.S, Krojer, T, Goubin, S, Strain-Damerell, C, Mahajan, P, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W.
Deposit date:2013-07-30
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of Glycogen Branching Enzyme Deficiency and Pharmacologic Rescue by Rational Peptide Design.
Hum.Mol.Genet., 24, 2015
5MP0
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BU of 5mp0 by Molmil
Human m7GpppN-mRNA Hydrolase (DCP2, NUDT20) Catalytic Domain
Descriptor: 1,2-ETHANEDIOL, m7GpppN-mRNA hydrolase
Authors:Mathea, S, Salah, E, Velupillai, S, Tallant, C, Pike, A.C.W, Bushell, S.R, Faust, B, Wang, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Huber, K.
Deposit date:2016-12-15
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Human m7GpppN-mRNA Hydrolase (DCP2, NUDT20) Catalytic Domain
To Be Published
3ZP5
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BU of 3zp5 by Molmil
Crystal structure of the DNA binding ETS domain of the human protein FEV in complex with DNA
Descriptor: 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP)-3', PROTEIN FEV
Authors:Newman, J.A, Cooper, C.D.O, Krojer, T, Shrestha, L, Allerston, C.K, Vollmar, M, Arrowsmith, C.H, Burgess-Brown, N, Edwards, A, von Delft, F, Gileadi, O.
Deposit date:2013-02-26
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 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
5MXX
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BU of 5mxx by Molmil
Crystal structure of human SR protein kinase 1 (SRPK1) in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, ...
Authors:Tallant, C, Redondo, C, Batson, J, Toop, H.D, Babaebi-Jadidib, R, Savitsky, P, Elkins, J.M, Newman, J.A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bates, D.O, Morris, J.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-01-25
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.
ACS Chem. Biol., 12, 2017
5NKS
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BU of 5nks by Molmil
Human Dihydropyrimidinase-related Protein 4 (DPYSL4, CRMP3, ULIP-4)
Descriptor: Dihydropyrimidinase-related protein 4
Authors:Mathea, S, Elkins, J.M, Strain-Damerell, C, Salah, E, Borkowska, O, Chalk, R, Burgess-Brown, N, Pinkas, D.M, von Delft, F, Krojer, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2017-03-31
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Dihydropyrimidinase-related Protein 4 (DPYSL4, CRMP3, ULIP-4)
To Be Published
5LWN
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BU of 5lwn by Molmil
Crystal structure of JAK3 in complex with Compound 5 (FM409)
Descriptor: (2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide, (~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, ...
Authors:Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-09-18
Release date:2016-10-26
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Cell Chem Biol, 23, 2016
4ABN
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BU of 4abn by Molmil
Crystal structure of full length mouse Strap (TTC5)
Descriptor: 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5
Authors:Pike, A.C.W, Bullock, A.N, Kleinekofort, W, Zimmermann, T, Burgess-Brown, N, Sharpe, T.D, Thangaratnarajah, C, Keates, T, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, La Thangue, N.B, Knapp, S.
Deposit date:2011-12-09
Release date:2012-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
3DLZ
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BU of 3dlz by Molmil
Crystal structure of human haspin in complex with AMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Murray, J.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-06-30
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and functional characterization of the atypical human kinase haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
5LUG
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BU of 5lug by Molmil
Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide
Descriptor: 1,2-ETHANEDIOL, ALA-ARG-THR-M3L-GLN-THR-ALA-2MR-LYS-SER, N3, ...
Authors:Srikannathasan, V, Gileadi, C, Talon, R, Shrestha, L, Kopec, J, Szykowska, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K.
Deposit date:2016-09-08
Release date:2017-09-20
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide
To be published
5LWM
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BU of 5lwm by Molmil
Crystal structure of JAK3 in complex with Compound 4 (FM381)
Descriptor: 1,2-ETHANEDIOL, 1-phenylurea, 2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{N},~{N}-dimethyl-prop-2-enamide, ...
Authors:Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-09-18
Release date:2016-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Cell Chem Biol, 23, 2016
4CVH
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BU of 4cvh by Molmil
Crystal structure of human isoprenoid synthase domain-containing protein
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ISOPRENOID SYNTHASE DOMAIN-CONTAINING PROTEIN, ...
Authors:Kopec, J, Froese, D.S, Krojer, T, Newman, J, Kiyani, W, Goubin, S, Strain-Damerell, C, Vollmar, M, von Delft, F, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Lefeber, D.J, Yue, W.W.
Deposit date:2014-03-27
Release date:2015-02-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Human Ispd is a Cytidyltransferase Required for Dystroglycan O-Mannosylation.
Chem.Biol., 22, 2015
4AGU
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BU of 4agu by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CDKL1 KINASE DOMAIN
Descriptor: CYCLIN-DEPENDENT KINASE-LIKE 1, N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
Authors:Canning, P, Sharpe, T.D, Allerston, C, Savitsky, P, Pike, A.C.W, Muniz, J.R.C, Chaikuad, A, Kuo, K, Burgess-Brown, N, Ayinampudi, V, Zhang, Y, Thangaratnarajah, C, Ugochukwu, E, Vollmar, M, Krojer, T, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Knapp, S, Bullock, A.
Deposit date:2012-01-31
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
2PA1
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BU of 2pa1 by Molmil
Structure of the PDZ domain of human PDLIM2 bound to a C-terminal extension from human beta-tropomyosin
Descriptor: CHLORIDE ION, PDZ and LIM domain protein 2
Authors:Uppenberg, J, Shrestha, L, Elkins, J, Burgess-Brown, N, Salah, E, Bunkoczi, G, Papagrigoriou, E, Pike, A.C.W, Turnbull, A.P, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-03-27
Release date:2007-05-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
2PKT
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BU of 2pkt by Molmil
Crystal structure of the human CLP-36 (PDLIM1) bound to the C-terminal peptide of human alpha-actinin-1
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Uppenberg, J, Gileadi, C, Elkins, J, Bray, J, Burgess-Brown, N, Salah, E, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-04-18
Release date:2007-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
2Q3G
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BU of 2q3g by Molmil
Structure of the PDZ domain of human PDLIM7 bound to a C-terminal extension from human beta-tropomyosin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PDZ and LIM domain protein 7
Authors:Gileadi, C, Papagrigoriou, E, Elkins, J, Burgess-Brown, N, Salah, E, Gileadi, O, Umeano, C, Bunkoczi, G, von Delft, F, Uppenberg, J, Pike, A.C.W, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
2VUW
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BU of 2vuw by Molmil
Structure of human haspin kinase domain
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Eswaran, J, Murray, J.W, Filippakopoulos, P, Soundararajan, M, Pike, A.C.W, von Delft, F, Picaud, S, Keates, T, King, O, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Fedorov, O, Burgess-Brown, N, Bray, J, Knapp, S.
Deposit date:2008-05-30
Release date:2008-09-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Functional Characterization of the Atypical Human Kinase Haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WEL
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BU of 2wel by Molmil
Crystal structure of SU6656-bound calcium/calmodulin-dependent protein kinase II delta in complex with calmodulin
Descriptor: (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Pike, A.C.W, Rellos, P, Salah, E, Burgess-Brown, N, Keates, T, Muniz, J, Sethi, R, Roos, A, Filippakopoulos, P, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Bountra, C, Knapp, S.
Deposit date:2009-03-31
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2WWW
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BU of 2www by Molmil
Crystal Structure of Methylmalonic Acidemia Type A Protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, METHYLMALONIC ACIDURIA TYPE A PROTEIN, MITOCHONDRIAL, ...
Authors:Muniz, J.R.C, Gileadi, C, Froese, D.S, Yue, W.W, Pike, A.C.W, von Delft, F, Kochan, G, Sethi, R, Chaikuad, A, Pilka, E, Picaud, S, Phillips, C, Guo, K, Krysztofinska, E, Bray, J, Burgess-Brown, N, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gravel, R.A, Kavanagh, K.L, Oppermann, U.
Deposit date:2009-10-30
Release date:2009-11-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
2VZ6
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BU of 2vz6 by Molmil
Structure of human calcium calmodulin dependent protein kinase type II alpha (CAMK2A) in complex with Indirubin E804
Descriptor: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, CALCIUM CALMODULIN DEPENDENT PROTEIN KINASE TYPE II ALPHA CHAIN, S-1,2-PROPANEDIOL
Authors:Pike, A.C.W, Rellos, P, King, O, Salah, E, Parizotto, E, Fedorov, O, Shrestha, L, Burgess-Brown, N, Roos, A, Murray, J.W, von Delft, F, Edwards, A, Arrowsmith, C.H, Wikstroem, M, Bountra, C, Knapp, S.
Deposit date:2008-07-30
Release date:2008-08-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
6FCX
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BU of 6fcx by Molmil
Structure of human 5,10-methylenetetrahydrofolate reductase (MTHFR)
Descriptor: CITRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase, ...
Authors:Kopec, J, Bezerra, G.A, Oberholzer, A.E, Rembeza, E, Sorrell, F.J, Chalk, R, Borkowska, O, Ellis, K, Kupinska, K, Krojer, T, Burgess-Brown, N, Von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Froese, D.S, Baumgartner, M, Yue, W.W, Structural Genomics Consortium (SGC)
Deposit date:2017-12-21
Release date:2018-05-16
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition.
Nat Commun, 9, 2018
2W2C
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BU of 2w2c by Molmil
STRUCTURE OF THE TETRADECAMERIC OLIGOMERISATION DOMAIN OF CALCIUM- CALMODULIN DEPENDENT PROTEIN KINASE II DELTA
Descriptor: ACETATE ION, CADMIUM ION, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN
Authors:Pike, A.C.W, Rellos, P, Sethi, R, Salah, E, Burgess-Brown, N, Shrestha, L, Roos, A, Murray, J.W, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S.
Deposit date:2008-10-28
Release date:2008-12-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2VX3
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BU of 2vx3 by Molmil
Crystal structure of the human dual specificity tyrosine- phosphorylation-regulated kinase 1A
Descriptor: CHLORIDE ION, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, HEXAETHYLENE GLYCOL, ...
Authors:Roos, A.K, Soundararajan, M, Pike, A.C.W, Federov, O, King, O, Burgess-Brown, N, Philips, C, Filippakopoulos, P, Arrowsmith, C.H, Wikstrom, M, Edwards, A, von Delft, F, Bountra, C, Knapp, S.
Deposit date:2008-06-30
Release date:2008-09-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013

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