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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2023-09-20
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
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
4JWQ
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BU of 4jwq by Molmil
Crystal Structure of the Calcium Binding Domain of CDPK3 from Plasmodium Berghei, PB000947.00
分子名称: CALCIUM ION, Calcium-dependent protein kinase, SULFATE ION
著者Wernimont, A.K, Loppnau, P, Lin, Y.H, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC)
登録日2013-03-27
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of the Calcium Binding Domain of CDPK3 from Plasmodium Berghei, PB000947.00
TO BE PUBLISHED
6SXW
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BU of 6sxw by Molmil
Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638)
分子名称: SULFATE ION, Zinc finger protein 638
著者Newman, J.A, Aitkenhead, H, Wang, D, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-09-26
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638)
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
6S25
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BU of 6s25 by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate
著者Picaud, S, Traquete, R, Bernardes, G.J.L, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
登録日2019-06-20
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand
To Be Published
6T6F
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BU of 6t6f by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 8 (CS275)
分子名称: 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D
著者Sorrell, F, Kraemer, A, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献CAMK1D bound to CS275
To Be Published
4JDS
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BU of 4jds by Molmil
SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
分子名称: Histone-lysine N-methyltransferase SETD7, N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, S-ADENOSYLMETHIONINE, ...
著者Dong, A, Wu, H, Zeng, H, Park, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-02-25
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
to be published
6T8N
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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
6T7K
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BU of 6t7k by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
分子名称: 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ...
著者Johansson, C, Wang, J, Tye, M, Payne, N.C, Mazitschek, R, Thompson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
To Be Published
4JLG
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BU of 4jlg by Molmil
SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine
分子名称: 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ...
著者Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-03-12
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献(R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
4JXM
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BU of 4jxm by Molmil
Crystal structure of RRP9 WD40 repeats
分子名称: U3 small nucleolar RNA-interacting protein 2, UNKNOWN ATOM OR ION
著者Wu, X, Tempel, W, Xu, C, El Bakkouri, M, He, H, Seitova, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-03-28
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of RRP9 WD40 repeats
To be Published
4L1M
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BU of 4l1m by Molmil
Structure of the first RCC1-like domain of HERC2
分子名称: E3 ubiquitin-protein ligase HERC2, SULFATE ION, UNKNOWN ATOM OR ION
著者Tempel, W, Khan, M.B, Dong, A, Hu, J, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2013-06-03
公開日2013-07-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the first RCC1-like domain of HERC2
TO BE PUBLISHED
4L59
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BU of 4l59 by Molmil
Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex
分子名称: 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, Lethal(3)malignant brain tumor-like protein 3, SULFATE ION, ...
著者Zhong, N, Dong, A, Ravichandran, M, Camerino, M.A, Dickson, B.M, James, L.I, Baughman, B.M, Norris, J.L, Kireev, D.B, Janzen, W.P, Graslund, S, Frye, S.V, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-06-10
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.
Medchemcomm, 4, 2013
6UE6
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BU of 6ue6 by Molmil
PWWP1 domain of NSD2 in complex with MR837
分子名称: 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide, Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, De Freitas, R.F, Schapira, M, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
登録日2019-09-20
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2.
J.Med.Chem., 64, 2021
4MI0
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BU of 4mi0 by Molmil
Human Enhancer of Zeste (Drosophila) Homolog 2(EZH2)
分子名称: Histone-lysine N-methyltransferase EZH2, UNKNOWN ATOM OR ION, ZINC ION
著者Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2013-08-30
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the catalytic domain of EZH2 reveals conformational plasticity in cofactor and substrate binding sites and explains oncogenic mutations.
Plos One, 8, 2013
4MHV
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BU of 4mhv by Molmil
Crystal structure of the PNT domain of human ETS2
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Newman, J.A, Cooper, C.D.O, Krojer, T, Shrestha, L, Burgess-brown, N, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O.
登録日2013-08-30
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the PNT domain of human ETS2
To be Published
4L0N
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BU of 4l0n by Molmil
Crystal structure of STK3 (MST2) SARAH domain
分子名称: Serine/threonine-protein kinase 3
著者Chaikuad, A, Krojer, T, Newman, J.A, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-05-31
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of STK3 (MST2) SARAH domain
To be Published
2AKK
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BU of 2akk by Molmil
Solution structure of phnA-like protein rp4479 from Rhodopseudomonas palustris
分子名称: phnA-like protein
著者Wu, B, Yee, A, Ramelot, T.A, Semesi, A, Lemak, A, Kennedy, M, Edward, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
登録日2005-08-03
公開日2006-08-22
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of phnA-like protein rp4479 from Rhodopseudomonas palustris
To be Published
2B9E
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BU of 2b9e by Molmil
Human NSUN5 protein
分子名称: NOL1/NOP2/Sun domain family, member 5 isoform 2, S-ADENOSYLMETHIONINE
著者Min, J.R, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2005-10-11
公開日2005-10-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Crystal Structure of Human NSUN5 protein in complex with S-adenosyl-L-methionine
To be Published
2AKL
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BU of 2akl by Molmil
Solution structure for phn-A like protein PA0128 from Pseudomonas aeruginosa
分子名称: ZINC ION, phnA-like protein pa0128
著者Srisailam, S, Yee, A, Lemak, A, Lukin, J.A, Bansal, S, Prestegard, J.H, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
登録日2005-08-03
公開日2006-07-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Sequence Specific Resonance Assignment of a Hypothetical Protein PA0128 from Pseudomonas Aeruginosa
J.Biomol.Nmr, 36, 2006
2AYJ
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BU of 2ayj by Molmil
Solution structure of 50S ribosomal protein L40e from Sulfolobus solfataricus
分子名称: 50S ribosomal protein L40e, ZINC ION
著者Wu, B, Yee, A, Lukin, J, Lemak, A, Semesi, A, Ramelot, T, Kennedy, M, Edward, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2005-09-07
公開日2006-08-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of ribosomal protein L40E, a unique C4 zinc finger protein encoded by archaeon Sulfolobus solfataricus
Protein Sci., 17, 2008
2B3G
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BU of 2b3g by Molmil
p53N (fragment 33-60) bound to RPA70N
分子名称: Cellular tumor antigen p53, Replication protein A 70 kDa DNA-binding subunit
著者Bochkareva, E, Kaustov, L, Ayed, A, Yi, G.S, Lu, Y, Pineda-Lucena, A, Liao, J.C, Okorokov, A.L, Milner, J, Arrowsmith, C.H, Bochkarev, A.
登録日2005-09-20
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Single-stranded DNA mimicry in the p53 transactivation domain interaction with replication protein A.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2AVD
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BU of 2avd by Molmil
Crystal Structure of Human Catechol-O-methyltransferase domain containing 1
分子名称: Catechol-O-methyltransferase, S-ADENOSYLMETHIONINE
著者Min, J.R, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2005-08-29
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of Human Catechol-O-methyltransferase domain containing 1 in complex with S-adenosyl-L-methionine
To be Published
2B29
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N-terminal domain of the RPA70 subunit of human replication protein A.
分子名称: Replication protein A 70 kDa DNA-binding subunit
著者Bochkareva, E, Kaustov, L, Ayed, A, Okorokov, A, Milner, J, Arrowsmith, C.H, Bochkarev, A.
登録日2005-09-18
公開日2005-10-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Single-stranded DNA mimicry in the p53 transactivation domain interaction with replication protein A.
Proc.Natl.Acad.Sci.Usa, 102, 2005

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