8G5E
 
 | | 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
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4NXJ
 | | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum | | Descriptor: | Bromodomain protein | | Authors: | Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-12-09 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
TO BE PUBLISHED
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8GCY
 | | Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ... | | Authors: | Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-03-03 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
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8G2H
 | | Crystal Structure of PRMT4 with Compound YD1113 | | Descriptor: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | 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: | 2023-12-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.49 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
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4MX2
 | | Crystal Structure of adenylosuccinate lyase from Leishmania donovani | | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, GLYCEROL, ... | | Authors: | Wernimont, A.K, Loppnau, P, Dong, A, Krojer, T, Bradley, A, Bushell, S, von Delft, F, Robinson, D, Gilbert, I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-25 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of adenylosuccinate lyase from Leishmania donovani
To be Published
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4PY6
 | | Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain protein, ... | | Authors: | Fonseca, M, Tallant, C, Hutchinson, A, Savitsky, P, Krojer, T, Filippakopoulos, P, Loppnau, P, Brennan, P.E, von Delft, F, Dong, A, Josling, G.A, Duffy, M.F, Arrowsmith, C.H, Bountra, C, Hui, R, Knapp, S, Wernimont, A.K, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-03-26 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum
To be Published
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4E74
 | | Crystal structure of the RHO GTPASE BINDING DOMAIN of Plexin A4A | | Descriptor: | Plexin-A4, UNKNOWN ATOM OR ION | | Authors: | Guan, X, Wang, H, Tempel, W, Dong, A, Tong, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-03-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of the RHO GTPASE BINDING DOMAIN of Plexin A4A
to be published
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5VS7
 | | Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac | | Descriptor: | Bromodomain protein, putative, CHLORIDE ION, ... | | Authors: | Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-05-11 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac
To be published
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5VC8
 | | Crystal structure of the WHSC1 PWWP1 domain | | Descriptor: | DNA (5'-D(P*CP*TP*(DN))-3'), Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ... | | Authors: | Qin, S, Tempel, W, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-28 | | Last modified: | 2021-08-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Histone and DNA binding ability studies of the NSD subfamily of PWWP domains.
Biochem.Biophys.Res.Commun., 569, 2021
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4HAE
 | | Crystal structure of the CDYL2-chromodomain | | Descriptor: | Chromodomain Y-like protein 2, SULFATE ION, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Dombrovski, L, Tempel, W, Dong, A, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-09-26 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the CDYL2-chromodomain
To be Published
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4MTL
 | | 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
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7FHJ
 | | Crystal structure of BAZ2A with DNA | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ... | | Authors: | Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-29 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
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4PYZ
 | | Crystal structure of the first two Ubl domains of Deubiquitylase USP7 | | Descriptor: | UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Walker, J.R, Dong, A, Ong, M.S, Dhe-Paganon, S, Kania, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-03-28 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal structure of the first two Ubl domains of Deubiquitylase USP7
to be published
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5FEA
 | | Domain Swapped Bromodomain from Leishmania donovani | | Descriptor: | BROMIDE ION, Bromosporine, Uncharacterized protein | | Authors: | Walker, J.R, Hou, C.F.D, Lin, Y.H, LOPPNAU, P, Dong, A, El Bakkouri, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Domain Swapped Bromodomain from Leishmania donovani
To be published
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5DWS
 | | Crystal Structure of ITCH WW3 domain in complex with TXNIP peptide | | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, UNKNOWN ATOM OR ION, txnip | | Authors: | Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-22 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of ITCH WW3 domain in complex with TXNIP peptide
to be published
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5DZD
 | | Crystal Structure of WW4 domain of ITCH in complex with TXNIP peptide | | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-25 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystal Structure of WW4 domain of ITCH in complex with TXNIP peptide
To be Published
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4QQN
 | | Protein arginine methyltransferase 3 in complex with compound MTV044246 | | Descriptor: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
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2PZ9
 | | Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor | | Descriptor: | Putative regulatory protein, SULFATE ION | | Authors: | Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-05-17 | | Release date: | 2007-06-19 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In situ proteolysis for protein crystallization and structure determination.
Nat.Methods, 4, 2007
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6CVZ
 | | Crystal structure of the WD40-repeat of RFWD3 | | Descriptor: | E3 ubiquitin-protein ligase RFWD3, MAGNESIUM ION | | Authors: | DONG, A, LOPPNAU, P, SEITOVA, A, HUTCHINSON, A, TEMPEL, W, WEI, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, TONG, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
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3GV6
 | | Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide | | Descriptor: | Chromobox protein homolog 6, Histone H3K9me3 peptide | | Authors: | Dong, A, Amaya, M.F, Li, Z, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-30 | | Release date: | 2009-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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3FM0
 | | Crystal structure of WD40 protein Ciao1 | | Descriptor: | Protein CIAO1, SULFATE ION | | Authors: | Dong, A, Ravichandran, M, Crombet, L, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-12-19 | | Release date: | 2009-02-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
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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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6WAV
 | | Crystal structure of PHF1 in complex with H3K36me3 substitution | | Descriptor: | Histone H3.1, PHD finger protein 1, SULFATE 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 (1.7 Å) | | Cite: | Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
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6WAT
 | | complex structure of PHF1 | | Descriptor: | Histone H3.1t peptide, PHD finger protein 1, 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 (1.8 Å) | | Cite: | Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
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6VYC
 | | Crystal structure of WD-repeat domain of human WDR91 | | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 91 | | Authors: | Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-26 | | Release date: | 2020-03-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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