3DA2
 
 | | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor | | Descriptor: | CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ... | | Authors: | Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-28 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor.
To be Published
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4C02
 | | Crystal structure of human ACVR1 (ALK2) in complex with FKBP12.6 and dorsomorphin | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, ACTIVIN RECEPTOR TYPE-1, ... | | Authors: | Williams, E, Riesebos, E, Vollmar, M, Krojer, T, Bradley, A, Shrestha, L, Kupinska, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2013-07-31 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structure of Human Acvr1 (Alk2) in Complex with Fkbp12.6 And Dorsomorphin
Ph D Thesis
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4BKJ
 | | Crystal structure of the human DDR1 kinase domain in complex with imatinib | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2013-04-25 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
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4AVX
 | | Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) bound to an IP2 compound at 1.68 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, HEPATOCYTE GROWTH FACTOR-REGULATED TYROSINE KINASE SUBSTRATE, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, ... | | Authors: | Williams, E, Canning, P, Shrestha, L, Krojer, T, Vollmar, M, Slowey, A, Conway, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of the Tandem Vhs and Fyve Domains of Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) Bound to an Ip2 Compound at 1.68 A Resolution
To be Published
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7ZMS
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G4-043 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G4-043, ZINC ION | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-07-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
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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3KCI
 | | The third RLD domain of HERC2 | | Descriptor: | Probable E3 ubiquitin-protein ligase HERC2 | | Authors: | Walker, J.R, Qiu, L, Vesterberg, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Third RLD Domain of Herc2
To be Published
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4AZ9
 | | Crystal structure of phox homology domain of human sorting nexin 24 | | Descriptor: | 1,2-ETHANEDIOL, SORTING NEXIN-24 | | Authors: | Oberholzer, A.E, Kiyani, W, Krojer, T, Shrestha, L, von Delft, F, Froese, D.S, Chaikuad, A, Raynor, J, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2012-06-24 | | Release date: | 2012-10-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Phox Homology Domain of Human Sorting Nexin 24
To be Published
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5EZR
 | | Crystal Structure of PVX_084705 bound to compound | | Descriptor: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | | Authors: | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-26 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of PVX_084705 bound to compound
To Be Published
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5FZB
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4-Pyridylthiourea (N06275b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 1-pyridin-4-ylthiourea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-12 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4-Pyridylthiourea (N06275B) (Ligand Modelled Based on Pandda Event Map, Sgc -Diamond I04-1 Fragment Screening)
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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5HEN
 | | Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2 | | Authors: | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2016-01-06 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2
To Be Published
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5DKD
 | | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe | | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, 1,2-ETHANEDIOL, Transcription activator BRG1, ... | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Newman, J.A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | | Deposit date: | 2015-09-03 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe
To Be Published
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5DKC
 | | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe | | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, Probable global transcription activator SNF2L2, ZINC ION | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Fonseca, M, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | | Deposit date: | 2015-09-03 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe
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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5IGN
 | | Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe | | Descriptor: | Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide | | Authors: | Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-28 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published
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5FFY
 | | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand | | Descriptor: | 4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide, Peregrin | | Authors: | Tallant, C, Savitsky, P, Nunez-Alonso, G, Kopec, J, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2015-12-19 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand
To Be Published
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5FG4
 | | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe | | Descriptor: | 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Peregrin | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | | Deposit date: | 2015-12-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe
To Be Published
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5FFV
 | | Crystal structure of the bromodomain of human BRPF1 in complex with H3K14ac histone peptide | | Descriptor: | 1,2-ETHANEDIOL, Histone H3, Peregrin | | Authors: | Tallant, C, Nunez-Alonso, G, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2015-12-19 | | Release date: | 2015-12-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with H3K14ac histone peptide
To Be Published
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5FG6
 | | Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe | | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Bromodomain-containing protein 1, ... | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | | Deposit date: | 2015-12-20 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe
To Be Published
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5FFW
 | | Crystal structure of the bromodomain of human BRPF1 in complex with H4K5acK8ac histone peptide | | Descriptor: | Histone H4, Peregrin | | Authors: | Tallant, C, Nunez-Alonso, G, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2015-12-19 | | Release date: | 2015-12-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with H4K5acK8ac histone peptide
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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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: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human CTP:Phosphoethanolamine Cytidylyltransferase
To be Published
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4CCZ
 | | Crystal structure of human 5-methyltetrahydrofolate-homocysteine methyltransferase, the homocysteine and folate binding domains | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, METHIONINE SYNTHASE | | Authors: | Vollmar, M, Kiyani, W, Krojer, T, Goubin, S, Burgess-Brown, N, von Delft, F, Oppermann, U, Edwards, A, Arrowsmith, C, Bountra, C, Yue, W.W. | | Deposit date: | 2013-10-29 | | Release date: | 2013-11-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Human 5-Methyltetrahydrofolate-Homocysteine Methyltransferase, the Homocysteine and Folate Binding Domains
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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