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6ZGC
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BU of 6zgc by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530)
分子名称: Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ...
著者Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2020-06-18
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva.
JCI Insight, 6, 2021
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
分子名称: CHLORIDE ION, PDZ and LIM domain protein 2
著者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)
登録日2007-03-27
公開日2007-05-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
6G5P
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BU of 6g5p by Molmil
Crystal structure of human SP100 in complex with bromodomain-focused fragment FM009493b 2,3-Dimethoxy-2,3-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
分子名称: (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2018-03-29
公開日2018-04-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
6G5N
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BU of 6g5n by Molmil
Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
分子名称: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2018-03-29
公開日2018-04-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.765 Å)
主引用文献Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
6IBD
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BU of 6ibd by Molmil
The Phosphatase and C2 domains of Human SHIP1
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Williams, E.P, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2018-11-29
公開日2019-01-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
6I1S
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BU of 6i1s by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201
分子名称: (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ...
著者Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-10-30
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas.
Cancer Cell, 37, 2020
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
分子名称: 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
著者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.
登録日2013-02-26
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4ABN
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BU of 4abn by Molmil
Crystal structure of full length mouse Strap (TTC5)
分子名称: 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5
著者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.
登録日2011-12-09
公開日2012-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
4BBM
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BU of 4bbm by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN WITH BOUND TCS 2312
分子名称: 1,2-ETHANEDIOL, 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL, CHLORIDE ION, ...
著者Canning, P, Elkins, J.M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A.
登録日2012-09-26
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
4AAA
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BU of 4aaa by Molmil
Crystal structure of the human CDKL2 kinase domain
分子名称: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CYCLIN-DEPENDENT KINASE-LIKE 2
著者Canning, P, Vollmar, M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2011-11-30
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
5L78
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BU of 5l78 by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ...
著者Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W.
登録日2016-06-02
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
To Be Published
5LTU
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BU of 5ltu by Molmil
Crystal Structure of NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
分子名称: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2
著者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.
登録日2016-09-07
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献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)
分子名称: ETHYL MERCURY ION, Nucleoside diphosphate-linked moiety X motif 17, PHOSPHATE ION
著者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)
登録日2016-06-30
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17)
To Be Published
5LWN
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BU of 5lwn by Molmil
Crystal structure of JAK3 in complex with Compound 5 (FM409)
分子名称: (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, ...
著者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)
登録日2016-09-18
公開日2016-10-26
最終更新日2016-11-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Cell Chem Biol, 23, 2016
5MP0
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BU of 5mp0 by Molmil
Human m7GpppN-mRNA Hydrolase (DCP2, NUDT20) Catalytic Domain
分子名称: 1,2-ETHANEDIOL, m7GpppN-mRNA hydrolase
著者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.
登録日2016-12-15
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Human m7GpppN-mRNA Hydrolase (DCP2, NUDT20) Catalytic Domain
To Be Published
5MXX
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BU of 5mxx by Molmil
Crystal structure of human SR protein kinase 1 (SRPK1) in complex with compound 1
分子名称: 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, ...
著者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)
登録日2017-01-25
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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)
分子名称: Dihydropyrimidinase-related protein 4
著者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.
登録日2017-03-31
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Dihydropyrimidinase-related Protein 4 (DPYSL4, CRMP3, ULIP-4)
To Be Published
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
分子名称: 1,2-ETHANEDIOL, ALA-ARG-THR-M3L-GLN-THR-ALA-2MR-LYS-SER, N3, ...
著者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.
登録日2016-09-08
公開日2017-09-20
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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)
分子名称: 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, ...
著者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)
登録日2016-09-18
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Cell Chem Biol, 23, 2016
5NFJ
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BU of 5nfj by Molmil
Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitochondrial ribonuclease P protein 1, ...
著者Oerum, S, Kopec, J, Fitzpatrick, F, Newman, J.A, Chalk, R, Shrestha, L, Fairhead, M, Talon, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, C, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2017-03-14
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM)
To Be Published
2UZC
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BU of 2uzc by Molmil
Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5
著者Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D.
登録日2007-04-27
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms.
Protein Sci., 19, 2010
2V7O
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BU of 2v7o by Molmil
Crystal structure of human calcium-calmodulin-dependent protein kinase II gamma
分子名称: 1,2-ETHANEDIOL, BISINDOLYLMALEIMIDE IX, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II GAMMA CHAIN
著者Pike, A.C.W, Rellos, P, Fedorov, O, Burgess-Brown, N, Shrestha, L, Ugochukwu, E, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Knapp, S.
登録日2007-07-31
公開日2007-09-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2VUW
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Structure of human haspin kinase domain
分子名称: (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, ...
著者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.
登録日2008-05-30
公開日2008-09-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Functional Characterization of the Atypical Human Kinase Haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2V1W
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Crystal structure of human LIM protein RIL (PDLIM4) PDZ domain bound to the C-terminal peptide of human alpha-actinin-1
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PDZ AND LIM DOMAIN PROTEIN 4, ...
著者Soundararajan, M, Shrestha, L, Pike, A.C.W, Salah, E, Burgess-Brown, N, Elkins, J, Umeano, C, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.
登録日2007-05-30
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms.
Protein Sci., 19, 2010
2W2C
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BU of 2w2c by Molmil
STRUCTURE OF THE TETRADECAMERIC OLIGOMERISATION DOMAIN OF CALCIUM- CALMODULIN DEPENDENT PROTEIN KINASE II DELTA
分子名称: ACETATE ION, CADMIUM ION, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN
著者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.
登録日2008-10-28
公開日2008-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010

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