6QU2
 
 | | Crystal structure of DYRK1A complexed with FC162 inhibitor | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-02-26 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of DYRK1A complexed with FC162 inhibitor
To Be Published
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6QZL
 | | Structure of the H1 domain of human KCTD12 | | Descriptor: | BTB/POZ domain-containing protein KCTD12 | | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-11 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of the H1 domain of human KCTD12
To be published
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3HMI
 | | The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Tyrosine-protein kinase ABL2 | | Authors: | Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-29 | | Release date: | 2009-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
To be Published
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8PDJ
 | | The phosphatase and C2 domains of SHIP1 with covalent Z56948267 | | Descriptor: | 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | | Deposit date: | 2023-06-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
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8PDH
 | | The phosphatase and C2 domains of SHIP1 with covalent Z1742148362 | | Descriptor: | (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | | Deposit date: | 2023-06-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
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6WAJ
 | | Crystal structure of the UBL domain of human NLE1 | | Descriptor: | NLE1, UNKNOWN ATOM OR ION | | Authors: | Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-25 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the UBL domain of human NLE1
To be Published
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5WBN
 | | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H. | | Deposit date: | 2017-06-29 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
To be published
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6QNV
 | | Fibrinogen-like globe domain of Human Tenascin-C | | Descriptor: | Tenascin | | Authors: | Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-02-12 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Fibrinogen-like globe domain of Human Tenascin-C
To Be Published
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6QPL
 | | Crystal structure of Spindlin1 in complex with the inhibitor MS31 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | Deposit date: | 2019-02-14 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
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6WAU
 | | Complex structure of PHF19 | | Descriptor: | Histone H3.1t peptide, PHD finger protein 19, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-26 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
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5LBA
 | | 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
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4Z31
 | | Crystal structure of the RC3H2 ROQ domain in complex with stem-loop and double-stranded forms of RNA | | Descriptor: | CHLORIDE ION, RNA (5'-R(*A)-D(P*UP*GP*UP*UP*CP*UP*GP*UP*GP*AP*AP*CP*AP*C)-3'), Roquin-2, ... | | Authors: | DONG, A, ZHANG, Q, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-30 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins.
Sci Rep, 5, 2015
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3ME9
 | | Crystal structure of SGF29 in complex with H3K4me3 peptide | | Descriptor: | GLYCEROL, Histone H3, SAGA-associated factor 29 homolog, ... | | Authors: | Bian, C, Tempel, W, Xu, C, Guo, Y, Dong, A, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-28 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
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3O70
 | | PHD-type zinc finger of human PHD finger protein 13 | | Descriptor: | GLYCEROL, PHD finger protein 13, ZINC ION | | Authors: | Lam, R, Bian, C.B, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-29 | | Release date: | 2010-09-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3.
Elife, 5, 2016
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4ZQL
 | | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor | | Descriptor: | 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, ... | | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, 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. | | Deposit date: | 2015-05-10 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
To Be Published
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4XDL
 | | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ... | | Authors: | Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-19 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
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3O7A
 | | Crystal structure of PHF13 in complex with H3K4me3 | | Descriptor: | GLYCEROL, H3K4ME3 HISTONE 11MER-PEPTIDE, PHD finger protein 13 variant, ... | | Authors: | Bian, C.B, Lam, R, Xu, C, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-30 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3.
Elife, 5, 2016
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3HMH
 | | Crystal structure of the second bromodomain of human TBP-associated factor RNA polymerase 1-like (TAF1L) | | Descriptor: | Transcription initiation factor TFIID 210 kDa subunit | | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Zhang, Y, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-29 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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6C2F
 | | MBD2 in complex with methylated DNA | | Descriptor: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | Authors: | Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-08 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | MBD2 in complex with methylated DNA
to be published
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4Z6H
 | | Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand | | Descriptor: | 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9 | | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, 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. | | Deposit date: | 2015-04-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
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3KUF
 | | The Crystal Structure of the Tudor Domains from FXR1 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Fragile X mental retardation syndrome-related protein 1, GLYCEROL | | Authors: | Bian, C, Guo, Y.H, Adams-Cioaba, M.A, Mackenzie, F, Kozieradzki, I, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-27 | | Release date: | 2010-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the Tudor domains from Fragile X mental retardation syndrome-related protein 1
To be Published
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3H9R
 | | Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin | | Descriptor: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | Authors: | Chaikuad, A, Alfano, I, Shrestha, B, Muniz, J.R.C, Petrie, K, Fedorov, O, Phillips, C, Bishop, S, Mahajan, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-30 | | Release date: | 2009-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the Bone Morphogenetic Protein Receptor ALK2 and Implications for Fibrodysplasia Ossificans Progressiva.
J.Biol.Chem., 287, 2012
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2WWP
 | | Crystal structure of the human lipocalin-type prostaglandin D synthase | | Descriptor: | CHLORIDE ION, PROSTAGLANDIN-H2 D-ISOMERASE, THIOCYANATE ION | | Authors: | Roos, A.K, Tresaugues, L, 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, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-26 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Dynamic Insights Into Substrate Binding and Catalysis of Human Lipocalin Prostaglandin D Synthase.
J.Lipid Res., 54, 2013
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2XS6
 | | CRYSTAL STRUCTURE OF THE RHOGAP DOMAIN OF HUMAN PIK3R2 | | Descriptor: | CHLORIDE ION, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT BETA | | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P. | | Deposit date: | 2010-09-24 | | Release date: | 2010-11-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The Structure and Catalytic Mechanism of Human Sphingomyelin Phosphodiesterase Like 3A - an Acid Sphingomyelinase Homolog with a Novel Nucleotide Hydrolase Activity.
FEBS J., 283, 2016
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3U2Z
 | | Activator-Bound Structure of Human Pyruvate Kinase M2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ... | | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-10-04 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
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