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7Q2J
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BU of 7q2j by Molmil
Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer
分子名称: Elongin-B, Elongin-C, N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide, ...
著者Kraemer, A, Doelle, A, Schwalm, M.P, Adhikari, B, Wolf, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-10-25
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
2R2O
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BU of 2r2o by Molmil
Crystal structure of the effector domain of human Plexin B1
分子名称: Plexin-B1, UNKNOWN ATOM OR ION
著者Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2007-08-27
公開日2007-09-04
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding of Rac1, Rnd1, and RhoD to a novel Rho GTPase interaction motif destabilizes dimerization of the plexin-B1 effector domain.
J.Biol.Chem., 282, 2007
4MTL
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BU of 4mtl by Molmil
Human Methyltransferase-Like Protein 21C
分子名称: Protein-lysine methyltransferase METTL21C, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
著者Hong, B.S, Tempel, W, Dong, A, Li, Y, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-09-19
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Human Methyltransferase-Like Protein 21C
To be Published
8D41
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BU of 8d41 by Molmil
Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
分子名称: (1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid, Coatomer subunit beta', GLYCEROL, ...
著者Zeng, H, Saraon, P, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-06-01
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
To Be Published
7Q8T
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BU of 7q8t by Molmil
Crystal structure of NAMPT bound to ligand TSY535(compound 9a)
分子名称: Nicotinamide phosphoribosyltransferase, SULFATE ION, [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
著者Kraemer, A, Tang, S, Butterworth, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-11
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators.
Acta Pharm Sin B, 13, 2023
4FLB
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BU of 4flb by Molmil
CID of human RPRD2
分子名称: PRASEODYMIUM ION, Regulation of nuclear pre-mRNA domain-containing protein 2, SULFATE ION, ...
著者Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC)
登録日2012-06-14
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
4U7D
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Structure of human RECQ-like helicase in complex with an oligonucleotide
分子名称: ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION
著者Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2014-07-30
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures.
Proc.Natl.Acad.Sci.USA, 112, 2015
8F8E
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BU of 8f8e by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1
著者Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-11-21
公開日2023-03-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
2QW4
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BU of 2qw4 by Molmil
Human NR4A1 ligand-binding domain
分子名称: Orphan nuclear receptor NR4A1
著者Min, J.R, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2007-08-09
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Human Nr4A1 Ligand-Binding Domain
To be Published
2R55
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BU of 2r55 by Molmil
Human StAR-related lipid transfer protein 5
分子名称: StAR-related lipid transfer protein 5
著者Lehtio, L, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
登録日2007-09-03
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
6EAS
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Co-crystal of pseudokinase DRIK1 (drought responsive inactive kinase 1) bound to ENMD-2076
分子名称: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine, GLYCEROL, drought responsive inactive kinase 1
著者Aquino, B, Counago, R.M, Fala, A.M, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC)
登録日2018-08-03
公開日2018-08-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal of pseudokinase DRIK1 with ENMD-2076
To be Published
7FEO
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BU of 7feo by Molmil
Crystal structure of AtMBD5 MBD domain
分子名称: Methyl-CpG-binding domain-containing protein 5, SULFATE ION
著者Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
登録日2021-07-21
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
2QQ2
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BU of 2qq2 by Molmil
Crystal structure of C-terminal domain of Human acyl-CoA thioesterase 7
分子名称: Cytosolic acyl coenzyme A thioester hydrolase
著者Busam, R, Lehtio, L, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
登録日2007-07-26
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human acyl-CoA thioesterase 7.
To be Published
2QKQ
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BU of 2qkq by Molmil
Structure of the SAM Domain of Human Ephrin Type-B Receptor 4
分子名称: CHLORIDE ION, Ephrin type-B receptor 4
著者Walker, J.R, Cuerrier, D, Butler-Cole, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-07-11
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SAM Domain of Human Ephrin Type-B Receptor 4 (EPHB4)
TO BE PUBLISHED
2R99
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BU of 2r99 by Molmil
Crystal structure of cyclophilin ABH-like domain of human peptidylprolyl isomerase E isoform 1
分子名称: Peptidyl-prolyl cis-trans isomerase E
著者Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-09-12
公開日2007-09-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
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.
分子名称: 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ...
著者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)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
6OQM
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crystal structure of the MSH6 PWWP domain
分子名称: DNA mismatch repair protein Msh6, MAGNESIUM ION, SULFATE ION, ...
著者Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-04-26
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献crystal structure of the MSH6 PWWP domain
To Be Published
2R37
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Crystal structure of human glutathione peroxidase 3 (selenocysteine to glycine mutant)
分子名称: CHLORIDE ION, Glutathione peroxidase 3, SODIUM ION
著者Pilka, E.S, Guo, K, Gileadi, O, Rojkowa, A, von Delft, F, Pike, A.C.W, Kavanagh, K.L, Johannson, C, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-08-29
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of human glutathione peroxidase 3 (selenocysteine to glycine mutant).
TO BE PUBLISHED
3L43
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Crystal structure of the dynamin 3 GTPase domain bound with GDP
分子名称: Dynamin-3, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
著者Yang, S, Tempel, W, Tong, Y, Nedyalkova, L, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-12-18
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of the dynamin 3 GTPase domain bound with GDP
to be published
2QQ8
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Crystal structure of the putative RabGAP domain of human TBC1 domain family member 14
分子名称: TBC1 domain family member 14, UNKNOWN ATOM OR ION
著者Tong, Y, Tempel, W, Dimov, S, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2007-07-26
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the putative RabGAP domain of human TBC1 domain family member 14.
To be Published
8G5E
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BU of 8g5e by Molmil
Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
分子名称: Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION
著者Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-02-13
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
To be published
8G2F
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Crystal Structure of PRMT3 with Compound II710
分子名称: 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2023-05-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
3KVH
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Crystal structure of human protein syndesmos (NUDT16-like protein)
分子名称: CHLORIDE ION, GLYCEROL, Protein syndesmos
著者Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kotzsch, A, Kraulis, P, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Roos, A.K, Schuler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-11-30
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human protein syndesmos (NUDT16L1)
To be Published
8G2I
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Crystal Structure of PRMT4 with Compound YD1290
分子名称: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
3KH0
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Crystal structure of the Ras-association (RA) domain of RALGDS
分子名称: Ral guanine nucleotide dissociation stimulator, UNKNOWN ATOM OR ION
著者Shen, Y, Tempel, W, Wang, H, Tong, Y, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-10-29
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the Ras-association (RA) domain of RALGDS
to be published

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