7G9D
 
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102179-001 | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.659 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G9G
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102236-001 | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(2-methoxyphenyl)acetamide, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.079 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G9H
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102245-001 | | Descriptor: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.746 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G82
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010 | | Descriptor: | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.409 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G83
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814 | | Descriptor: | 3-propanamido-1-benzofuran-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G8Y
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1449748885 | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(4-methoxyphenyl)glycinamide, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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3EB0
 | | Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804 | | Descriptor: | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one, GLYCEROL, Putative uncharacterized protein | | Authors: | Wernimont, A.K, Fedorov, O, Lam, A, Ali, A, Zhao, Y, Lew, J, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-08-26 | | Release date: | 2008-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804
TO BE PUBLISHED
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3DKO
 | | Complex between the kinase domain of human ephrin type-a receptor 7 (epha7) and inhibitor alw-ii-49-7 | | Descriptor: | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide, Ephrin type-A receptor 7 | | Authors: | Walker, J.R, Syeda, F, Gray, N, Butler-Cole, C, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-25 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinase domain of human ephrin type-a receptor 7 (epha7) in complex with ALW-II-49-7
To be Published
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3ECI
 | | Microtubule-associated protein 1 light chain 3 alpha isoform A (MAP1ALC3) | | Descriptor: | Microtubule-associated protein 1 light chain 3 alpha | | Authors: | Walker, J.R, Davis, T.L, Mujib, S, Butler-Cole, C, Tempel, W, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S. | | Deposit date: | 2008-08-30 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Human Autophagy-Related Protein LC3 A
To be Published
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3E7V
 | | Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine, NICKEL (II) ION, ... | | Authors: | Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-08-19 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
To be Published
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3ELB
 | | Human CTP: Phosphoethanolamine Cytidylyltransferase in complex with CMP | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Ethanolamine-phosphate cytidylyltransferase, GLYCEROL | | Authors: | Karlberg, T, Welin, M, 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, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-09-22 | | Release date: | 2008-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human CTP:Phosphoethanolamine Cytidylyltransferase
To be Published
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3E77
 | | Human phosphoserine aminotransferase in complex with PLP | | Descriptor: | GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase | | Authors: | 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) | | Deposit date: | 2008-08-18 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human phosphoserine aminotransferase in complex with PLP
TO BE PUBLISHED
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3DFA
 | | Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum | | Descriptor: | Calcium-dependent protein kinase cgd3_920 | | Authors: | Wernimont, A.K, Lew, J, Lin, Y.H, Hassanali, A, Khuu, C, Alam, Z, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-11 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum.
To be Published
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3EAP
 | | Crystal structure of the RhoGAP domain of ARHGAP11A | | Descriptor: | Rho GTPase-activating protein 11A, UNKNOWN ATOM OR ION | | Authors: | Shen, Y, Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-08-26 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the RhoGAP domain of ARHGAP11A
To be Published
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4W9W
 | | Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762 | | Descriptor: | 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase | | Authors: | Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-08-28 | | Release date: | 2014-09-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
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4A9Z
 | | CRYSTAL STRUCTURE OF HUMAN P63 TETRAMERIZATION DOMAIN | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, TUMOR PROTEIN 63 | | Authors: | Muniz, J.R.C, Coutandin, D, Salah, E, Chaikuad, A, Vollmar, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, von Delft, F, Knapp, S. | | Deposit date: | 2011-11-30 | | Release date: | 2011-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal Structure of Human P63 Tetramerization Domain
To be Published
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5F5C
 | | Crystal Structure of human JMJD2D complexed with KDOPP7 | | Descriptor: | 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ... | | Authors: | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-04 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5K29
 | | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) | | Descriptor: | UNKNOWN ATOM OR ION, uncharacterized protein BDF5 | | Authors: | Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-05-18 | | Release date: | 2016-07-13 | | Last modified: | 2016-11-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
To Be Published
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4AW6
 | | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 (FACE1) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CAAX PRENYL PROTEASE 1 HOMOLOG, ZINC ION | | Authors: | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | | Deposit date: | 2012-05-31 | | Release date: | 2012-07-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
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5F5A
 | | Crystal Structure of human JMJD2D complexed with KDOAM16 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ... | | Authors: | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-04 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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4W9X
 | | Crystal Structure of BMP-2-inducible kinase in complex with baricitinib | | Descriptor: | 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib | | Authors: | Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-08-28 | | Release date: | 2014-09-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
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4RGJ
 | | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 | | Descriptor: | Calcium-dependent protein kinase 4 | | Authors: | Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-09-30 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
To be Published
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3CZH
 | | Crystal structure of CYP2R1 in complex with vitamin D2 | | Descriptor: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | | Authors: | 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) | | Deposit date: | 2008-04-29 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of CYP2R1 in complex with vitamin D2.
To be Published
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5F5I
 | | Crystal Structure of human JMJD2A complexed with KDOOA011340 | | Descriptor: | 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Krojer, T, Vollmar, M, Crawley, L, Szykowska, A, Gileadi, C, Johansson, C, England, K, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-04 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5FYS
 | | Crystal structure of the catalytic domain of human JARID1B in complex with D-2-hydroxyglutarate | | Descriptor: | (2R)-2-hydroxypentanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Nowak, R, Kopec, J, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with D-2-Hydroxyglutarate
To be Published
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