3C5C
| Crystal structure of human Ras-like, family 12 protein in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-like protein 12, ... | Authors: | Shen, L, Tong, Y, Tempel, W, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-31 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of human Ras-like, family 12 protein in complex with GDP. To be Published
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5C8G
| Crystal Structure Analysis of PP-BRD20 from Tb427tmp complexed with BI-2536 | Descriptor: | 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, PP-BRD20, UNKNOWN ATOM OR ION | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Hou, C.F.D, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amain, M, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-25 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure Analysis of PP-BRD20 from Tb427tmp to be published
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5QXM
| PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QXL
| PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QXN
| PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF826 | Descriptor: | (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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4EFC
| Crystal Structure of Adenylosuccinate Lyase from Trypanosoma Brucei, Tb427tmp.160.5560 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... | Authors: | Wernimont, A.K, Loppnau, P, Osman, K.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Robinson, D.A, Wyatt, P.G, Gilbert, I.H, Fairlamb, A.H, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-29 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Adenylosuccinate Lyase from Trypanosoma Brucei, Tb427tmp.160.5560 To be Published
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4MVT
| Crystal structure of SUMO E3 Ligase PIAS3 | Descriptor: | CHLORIDE ION, E3 SUMO-protein ligase PIAS3, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-24 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of SUMO E3 Ligase PIAS3 to be published
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4Q0O
| Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one, POTASSIUM ION, Protein polybromo-1 | Authors: | Filippakopoulos, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-04-02 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand To be Published
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3CE7
| Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510 | Descriptor: | Specific mitochondrial acyl carrier protein | Authors: | Wernimont, A.K, Dong, A, Yang, C, Khuu, C, Lam, A, Brand, V, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-28 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510. To be Published
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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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4ROF
| Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-10-28 | Release date: | 2014-12-10 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide To be Published
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5OCN
| Crystal structure of the forkhead domain of human FOXN1 | Descriptor: | Forkhead box protein N1, POTASSIUM ION | Authors: | Newman, J.A, Aitkenhead, H, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-07-03 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the forkhead domain of human FOXN1 To be published
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5RAJ
| PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with BD009815a | Descriptor: | 2,4-dichloro-N-(pyridin-3-yl)benzamide, CHLORIDE ION, Lysine-specific demethylase 3B, ... | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2020-03-16 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RB1
| PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001700a | Descriptor: | CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ... | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2020-03-16 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAK
| PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS040486b | Descriptor: | 3-(pyridin-3-yl)aniline, CHLORIDE ION, Lysine-specific demethylase 3B, ... | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2020-03-16 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAX
| PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM010054a | Descriptor: | 2-(2-methoxyphenoxy)ethanehydrazide, CHLORIDE ION, Lysine-specific demethylase 3B, ... | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2020-03-16 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RM2
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1741964527 | Descriptor: | 1-(diphenylmethyl)azetidin-3-ol, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RL8
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53825177 | Descriptor: | Helicase, N-(2-fluorophenyl)ethanesulfonamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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4NRB
| Crystal Structure of the bromodomain of human BAZ2B in complex with compound-1 N01197 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide | Authors: | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J.Med.Chem., 56, 2013
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4AOT
| Crystal Structure of Human Serine Threonine Kinase-10 (LOK) Bound to GW830263A | Descriptor: | 1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, Canning, P, von Delft, F, Yue, W, Liu, Y, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2012-03-29 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to Gw830263A To be Published
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4NR2
| Crystal structure of STK4 (MST1) SARAH domain | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 4 | Authors: | Chaikuad, A, Krojer, T, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2014-01-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of STK4 (MST1) SARAH domain To be Published
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4AQL
| HUMAN GUANINE DEAMINASE IN COMPLEX WITH VALACYCLOVIR | Descriptor: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate, GUANINE DEAMINASE, ZINC ION | Authors: | Welin, M, Egeblad, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, Weigelt, J, Nordlund, P. | Deposit date: | 2012-04-18 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Pan-Pathway Based Interaction Profiling of Fda-Approved Nucleoside and Nucleobase Analogs with Enzymes of the Human Nucleotide Metabolism. Plos One, 7, 2012
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5Q4I
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 83) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q5J
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 120) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q5Z
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 136) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PanDDA analysis group deposition To Be Published
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