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6T8N
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BU of 6t8n by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
分子名称: 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ...
著者Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-10-24
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
To Be Published
6TN8
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BU of 6tn8 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ...
著者Williams, E.P, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-12-06
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
To Be Published
3E77
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BU of 3e77 by Molmil
Human phosphoserine aminotransferase in complex with PLP
分子名称: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
著者Lehtio, L, Karlberg, T, Andersson, J, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Thorsell, S.G, Tresaugues, L, Van Den Berg, S, Welin, M, Wikstrom, M, Wisniewska, M, Weigelt, J, Schueler, H, Structural Genomics Consortium (SGC)
登録日2008-08-18
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human phosphoserine aminotransferase in complex with PLP
TO BE PUBLISHED
7T2F
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BU of 7t2f by Molmil
Solution structure of the model HEEH mini protein homodimer HEEH_TK_rd5_0341
分子名称: HEEH mini protein HEEH_TK_rd5_0341
著者Lemak, A, Houliston, S, Kim, T.-E, Martel, C, Rocklin, G.J, Arrowsmith, C.H.
登録日2021-12-04
公開日2022-10-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
4LDG
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BU of 4ldg by Molmil
Crystal Structure of CpSET8 from Cryptosporidium, cgd4_370
分子名称: MALONATE ION, Protein with a SET domain within carboxy region
著者Wernimont, A.K, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2013-06-24
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal Structure of CpSET8 from Cryptosporidium, cgd4_370
To be Published
4LG9
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BU of 4lg9 by Molmil
Crystal structure of TBL1XR1 WD40 repeats
分子名称: F-box-like/WD repeat-containing protein TBL1XR1, UNKNOWN ATOM OR ION
著者Xu, C, Tempel, W, He, H, Wu, X, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-06-27
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of TBL1XR1 WD40 repeats
TO BE PUBLISHED
4LDF
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Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190
分子名称: GCN5 like acetylase + bromodomain, GLYCEROL, UNKNOWN ATOM OR ION
著者Wernimont, A.K, Loppnau, P, Fonseca, M, Knapp, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC)
登録日2013-06-24
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190
TO BE PUBLISHED
4LG7
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BU of 4lg7 by Molmil
Crystal structure MBD4 MBD domain in complex with methylated CpG DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 4, UNKNOWN ATOM OR ION
著者Xu, C, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-06-27
公開日2013-07-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure MBD4 MBD domain in complex with methylated CpG DNA
To be Published
4D6Q
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BU of 4d6q by Molmil
crystal structure of human JMJD2D in complex with 2,4-PDCA
分子名称: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, NICKEL (II) ION, ...
著者Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2014-11-14
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.292 Å)
主引用文献Crystal Structure of Human Jmjd2D in Complex with 2,4-Pdca
To be Published
3CLZ
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BU of 3clz by Molmil
The set and ring associated (SRA) domain of UHRF1 bound to methylated DNA
分子名称: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3', 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3', E3 ubiquitin-protein ligase UHRF1
著者Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-03-20
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1.
Nature, 455, 2008
3COU
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BU of 3cou by Molmil
Crystal structure of human Nudix motif 16 (NUDT16)
分子名称: Nucleoside diphosphate-linked moiety X motif 16
著者Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Van Den Berg, S, Welin, M, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-03-29
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Nudix motif 16 (NUDT16).
To be Published
3CP6
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BU of 3cp6 by Molmil
Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor
分子名称: (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthetase, MAGNESIUM ION
著者Pilka, E.S, Dunford, J.E, Guo, K, Pike, A.C.W, von Delft, F, Barnett, B.L, Ebetino, F.H, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Russell, R.G.G, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-03-31
公開日2008-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor.
To be Published
3CEY
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BU of 3cey by Molmil
Crystal structure of L3MBTL2
分子名称: Lethal(3)malignant brain tumor-like 2 protein
著者Nady, N, Guo, Y, Pan, P, Allali-Hassani, A, Qi, C, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Bochkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
登録日2008-02-29
公開日2008-05-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3CY3
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BU of 3cy3 by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V
分子名称: (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile, 1,2-ETHANEDIOL, Pimtide peptide, ...
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-04-25
公開日2008-07-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V.
To be Published
3CLV
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BU of 3clv by Molmil
Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ...
著者Chattopadhyay, D, Wernimont, A.K, Langsley, G, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC)
登録日2008-03-20
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
To be Published
3CEG
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BU of 3ceg by Molmil
Crystal structure of the UBC domain of baculoviral IAP repeat-containing protein 6
分子名称: Baculoviral IAP repeat-containing protein 6
著者Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-02-29
公開日2008-04-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
3CZH
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BU of 3czh by Molmil
Crystal structure of CYP2R1 in complex with vitamin D2
分子名称: (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ...
著者Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-04-29
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of CYP2R1 in complex with vitamin D2.
To be Published
3D3L
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BU of 3d3l by Molmil
The 2.6 A crystal structure of the lipoxygenase domain of human arachidonate 12-lipoxygenase, 12S-type
分子名称: Arachidonate 12-lipoxygenase, 12S-type, FE (III) ION
著者Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Van Den Berg, S, Welin, M, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-05-12
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the lipoxygenase domain of human Arachidonate 12-lipoxygenase, 12S-type.
To be Published
3DB4
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BU of 3db4 by Molmil
Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1
分子名称: E3 ubiquitin-protein ligase UHRF1, SULFATE ION
著者Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-05-30
公開日2008-09-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
3DLJ
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BU of 3dlj by Molmil
Crystal structure of human carnosine dipeptidase 1
分子名称: Beta-Ala-His dipeptidase, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者Dong, A, Dobrovetsky, E, Seitova, A, He, H, Tempel, W, Kozieradzki, I, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Bochkarev, A, Cossar, D, Structural Genomics Consortium (SGC)
登録日2008-06-27
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of human carnosine dipeptidase 1.
To be Published
3DLX
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BU of 3dlx by Molmil
Crystal structure of human 3-oxoacid CoA transferase 1
分子名称: GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase 1
著者Kavanagh, K.L, Shafqat, N, Yue, W.W, Picaud, S, Murray, J.W, Maclean, E.M, von Delft, F, Roos, A.K, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-06-30
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human 3-oxoacid CoA transferase 1.
To be Published
4CUR
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BU of 4cur by Molmil
Crystal structure of human BAZ2B in complex with fragment-3 N09555
分子名称: 1,2-ETHANEDIOL, 2-(hydroxymethyl)-6-methylpyridin-3-ol, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
著者Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
登録日2014-03-21
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献Crystal Structure of Human Baz2B in Complex with Fragment-3 N09553
To be Published
4CUU
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BU of 4cuu by Molmil
Crystal structure of human BAZ2B in complex with fragment-6 N09645
分子名称: (2R)-1,2,3,4-tetrahydroquinoline-2,7-diol, 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
著者Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
登録日2014-03-21
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal Structure of Human Baz2B in Complex with Fragment-6 N09645
To be Published
4CUQ
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Crystal structure of human BAZ2B in complex with fragment-2 N09594
分子名称: 4-[(3S)-3-hydroxy-3-methoxypropyl]phenol, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
著者Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
登録日2014-03-21
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structure of Human Baz2B in Complex with Fragment-2 N09594
To be Published
4D6R
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crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound o-toluenesulfonamide
分子名称: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, N-OXALYLGLYCINE, ...
著者Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2014-11-14
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound O-Toluenesulfonamide
To be Published

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