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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
Descriptor: 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, ...
Authors:Kraemer, A, Doelle, A, Schwalm, M.P, Adhikari, B, Wolf, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-10-25
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Plexin-B1, UNKNOWN ATOM OR ION
Authors:Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-08-27
Release date:2007-09-04
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Protein-lysine methyltransferase METTL21C, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:Hong, B.S, Tempel, W, Dong, A, Li, Y, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2013-09-19
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: (1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid, Coatomer subunit beta', GLYCEROL, ...
Authors:Zeng, H, Saraon, P, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-06-01
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: 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
Authors:Kraemer, A, Tang, S, Butterworth, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-11-11
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: PRASEODYMIUM ION, Regulation of nuclear pre-mRNA domain-containing protein 2, SULFATE ION, ...
Authors: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)
Deposit date:2012-06-14
Release date:2012-08-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.802 Å)
Cite: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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BU of 4u7d by Molmil
Structure of human RECQ-like helicase in complex with an oligonucleotide
Descriptor: ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION
Authors: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)
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite: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
Descriptor: (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
Authors: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)
Deposit date:2022-11-21
Release date:2023-03-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: Orphan nuclear receptor NR4A1
Authors: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)
Deposit date:2007-08-09
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: StAR-related lipid transfer protein 5
Authors: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)
Deposit date:2007-09-03
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
6EAS
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BU of 6eas by Molmil
Co-crystal of pseudokinase DRIK1 (drought responsive inactive kinase 1) bound to ENMD-2076
Descriptor: 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
Authors:Aquino, B, Counago, R.M, Fala, A.M, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC)
Deposit date:2018-08-03
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Methyl-CpG-binding domain-containing protein 5, SULFATE ION
Authors:Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2021-07-21
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Cytosolic acyl coenzyme A thioester hydrolase
Authors: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)
Deposit date:2007-07-26
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: CHLORIDE ION, Ephrin type-B receptor 4
Authors: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)
Deposit date:2007-07-11
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Peptidyl-prolyl cis-trans isomerase E
Authors: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)
Deposit date:2007-09-12
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.61 Å)
Cite: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.
Descriptor: 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ...
Authors: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)
Deposit date:2016-06-15
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 6oqm by Molmil
crystal structure of the MSH6 PWWP domain
Descriptor: DNA mismatch repair protein Msh6, MAGNESIUM ION, SULFATE ION, ...
Authors:Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2019-04-26
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:crystal structure of the MSH6 PWWP domain
To Be Published
2R37
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BU of 2r37 by Molmil
Crystal structure of human glutathione peroxidase 3 (selenocysteine to glycine mutant)
Descriptor: CHLORIDE ION, Glutathione peroxidase 3, SODIUM ION
Authors: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)
Deposit date:2007-08-29
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of human glutathione peroxidase 3 (selenocysteine to glycine mutant).
TO BE PUBLISHED
3L43
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BU of 3l43 by Molmil
Crystal structure of the dynamin 3 GTPase domain bound with GDP
Descriptor: Dynamin-3, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
Authors: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)
Deposit date:2009-12-18
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of the dynamin 3 GTPase domain bound with GDP
to be published
2QQ8
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BU of 2qq8 by Molmil
Crystal structure of the putative RabGAP domain of human TBC1 domain family member 14
Descriptor: TBC1 domain family member 14, UNKNOWN ATOM OR ION
Authors: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)
Deposit date:2007-07-26
Release date:2007-08-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-02-13
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
To be published
8G2F
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BU of 8g2f by Molmil
Crystal Structure of PRMT3 with Compound II710
Descriptor: 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2023-05-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite: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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BU of 3kvh by Molmil
Crystal structure of human protein syndesmos (NUDT16-like protein)
Descriptor: CHLORIDE ION, GLYCEROL, Protein syndesmos
Authors: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)
Deposit date:2009-11-30
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human protein syndesmos (NUDT16L1)
To be Published
8G2I
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BU of 8g2i by Molmil
Crystal Structure of PRMT4 with Compound YD1290
Descriptor: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite: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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BU of 3kh0 by Molmil
Crystal structure of the Ras-association (RA) domain of RALGDS
Descriptor: Ral guanine nucleotide dissociation stimulator, UNKNOWN ATOM OR ION
Authors: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)
Deposit date:2009-10-29
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the Ras-association (RA) domain of RALGDS
to be published

221051

数据于2024-06-12公开中

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