2ESN
 
 | | The crystal structure of probable transcriptional regulator PA0477 from Pseudomonas aeruginosa | | Descriptor: | probable transcriptional regulator | | Authors: | Lunin, V.V, Chang, C, Skarina, T, Gorodischenskaya, E, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-10-26 | | Release date: | 2005-11-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of putative transcriptional regulator Pa0477 from Pseudomonas aeruginosa
To be Published
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6FAE
 | | The Sec7 domain of IQSEC2 (Brag1) in complex with the small GTPase Arf1 | | Descriptor: | 1,2-ETHANEDIOL, ADP-ribosylation factor 1, IQ motif and SEC7 domain-containing protein 2 | | Authors: | Gray, J, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P, von Delft, F. | | Deposit date: | 2017-12-15 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Targeting the Small GTPase Superfamily through their Regulatory Proteins.
Angew.Chem.Int.Ed.Engl., 2019
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6FCX
 | | Structure of human 5,10-methylenetetrahydrofolate reductase (MTHFR) | | Descriptor: | CITRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase, ... | | Authors: | Kopec, J, Bezerra, G.A, Oberholzer, A.E, Rembeza, E, Sorrell, F.J, Chalk, R, Borkowska, O, Ellis, K, Kupinska, K, Krojer, T, Burgess-Brown, N, Von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Froese, D.S, Baumgartner, M, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-12-21 | | Release date: | 2018-05-16 | | Last modified: | 2018-07-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition.
Nat Commun, 9, 2018
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3HE1
 | | Secreted protein Hcp3 from Pseudomonas aeruginosa. | | Descriptor: | GLYCEROL, Major exported Hcp3 protein | | Authors: | Osipiuk, J, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-05-07 | | Release date: | 2009-06-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Crystal structure of secretory protein Hcp3 from Pseudomonas aeruginosa.
J.Struct.Funct.Genom., 12, 2011
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5LXD
 | | Crystal structure of DYRK2 in complex with EHT 1610 (compound 2) | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-20 | | Release date: | 2016-10-26 | | Last modified: | 2017-01-11 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
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5LXC
 | | Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1) | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-20 | | Release date: | 2016-10-26 | | Last modified: | 2017-01-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
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3RJW
 | | Crystal structure of histone lysine methyltransferase g9a with an inhibitor | | Descriptor: | 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-04-15 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
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5FUN
 | | Crystal structure of human JARID1B in complex with GSK467 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | | Deposit date: | 2016-01-28 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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7B2X
 | | Crystal structure of human 5' exonuclease Appollo H61Y variant | | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-11-28 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
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2GHI
 | | Crystal Structure of Plasmodium yoelii Multidrug Resistance Protein 2 | | Descriptor: | SULFATE ION, transport protein | | Authors: | Dong, A, Gao, M, Choe, J, Zhao, Y, Lew, J, Wasney, G, Alam, Z, Melone, M, Kozieradzki, I, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-03-27 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2H1R
 | | Crystal structure of a dimethyladenosine transferase from Plasmodium falciparum | | Descriptor: | Dimethyladenosine transferase, putative | | Authors: | Dong, A, Lew, J, Ren, H, Sundararajan, E, Zhao, Y, Wasney, G, Vedadi, M, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-16 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2H66
 | | The Crystal Structure of Plasmodium Vivax 2-Cys peroxiredoxin | | Descriptor: | PV-PF14_0368 | | Authors: | Wernimont, A.K, Dong, A, Zhao, Y, Lew, J, Melone, M, Kozieradzki, I, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-30 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2HTE
 | | The crystal structure of spermidine synthase from p. falciparum in complex with 5'-methylthioadenosine | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, SULFATE ION, ... | | Authors: | Qiu, W, Dong, A, Ren, H, Wu, H, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-07-25 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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6Y6C
 | | TREM2 extracellular domain (19-174) in complex with single-chain variable fragment (scFv-4) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain variable, Triggering receptor expressed on myeloid cells 2 | | Authors: | Szykowska, A, Preger, C, Williams, E, Mukhopadhyay, S.M.M, McKinley, G, Gruslund, S, Wigren, E, Persson, H, Arrowsmith, C.H, Edwards, A, von Delft, F, Bountra, C, Davis, J.B, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-02-26 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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6YYE
 | | TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2 | | Authors: | Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-05-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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5A3N
 | | Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a | | Descriptor: | 1,2-ETHANEDIOL, 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Nuzzi, A, Ruda, G.F, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | | Deposit date: | 2015-06-02 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
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6ZSL
 | | Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution | | Descriptor: | PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-07-15 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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8PJI
 | | MLLT1 in complex with compound 10a | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ... | | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | | Deposit date: | 2023-06-23 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
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2HJR
 | | Crystal Structure of Cryptosporidium parvum malate dehydrogenase | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CITRIC ACID, Malate dehydrogenase | | Authors: | Wernimont, A.K, Dong, A, Lew, J, Hassani, A, Ren, H, Qiu, W, Kozieradzki, I, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-30 | | Release date: | 2006-08-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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8PJ7
 | | MLLT3 in complex with compound PFI-6 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | | Deposit date: | 2023-06-22 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
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2FU0
 | | Plasmodium falciparum cyclophilin PFE0505w putative cyclosporin-binding domain | | Descriptor: | cyclophilin, putative | | Authors: | Dong, A, Lew, J, Sundararajan, E, Zhao, Y, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-01-25 | | Release date: | 2006-02-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2HVG
 | | Crystal Structure of Adenylosuccinate Lyase from Plasmodium Vivax | | Descriptor: | Adenylosuccinate lyase, SULFATE ION | | Authors: | Wernimont, A.K, Dong, A, Lew, J, Wasney, G.A, Vedadi, M, Ren, H, Alam, Z, Qiu, W, Kozieradzki, I, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-07-28 | | Release date: | 2006-08-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2FO3
 | | Plasmodium vivax ubiquitin conjugating enzyme E2 | | Descriptor: | Ubiquitin-conjugating enzyme | | Authors: | Dong, A, Zhao, Y, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Qiu, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-01-12 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2C9W
 | | CRYSTAL STRUCTURE OF SOCS-2 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 1.9A RESOLUTION | | Descriptor: | NICKEL (II) ION, SULFATE ION, SUPPRESSOR OF CYTOKINE SIGNALING 2, ... | | Authors: | Debreczeni, J.E, Bullock, A, Amos, A, Savitsky, P, Barr, A, Burgess, N, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2005-12-14 | | Release date: | 2006-02-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the SOCS2-elongin C-elongin B complex defines a prototypical SOCS box ubiquitin ligase.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
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2H2Y
 | | Crystal structure of ubiquitin conjugating enzyme E2 from plasmodium falciparum | | Descriptor: | Ubiquitin-conjugating enzyme | | Authors: | Qiu, W, Dong, A, Zhao, Y, Lew, J, Kozieradski, I, Sundararajan, E, Melone, M, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-19 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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