7GAJ
 
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z285233820 | | Descriptor: | (5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GA9
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z1198177230 | | Descriptor: | (2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GAR
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z820676436 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GAK
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z287121492 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5HEL
 | | Crystal structure of the N-terminus Y153H 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 (1.45 Å) | | Cite: | Crystal structure of the N-terminus Y153H bromodomain mutant of human BRD2
To Be Published
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6HPZ
 | | Crystal structure of ENL (MLLT1) in complex with acetyllysine | | Descriptor: | 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE, Protein ENL | | Authors: | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-09-22 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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5HFQ
 | | Crystal structure of the second bromodomain Q443H mutant of human BRD2 | | Descriptor: | Bromodomain-containing protein 2 | | Authors: | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Fonseca, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2016-01-07 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the second bromodomain Q443H mutant of human BRD2
To Be Published
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5HTC
 | | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372 | | Descriptor: | (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name), (4S)-2-METHYL-2,4-PENTANEDIOL, ARC-3372 INHIBITOR, ... | | Authors: | Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-01-26 | | Release date: | 2016-03-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
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5HEM
 | | Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, 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 (1.65 Å) | | Cite: | Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2
To Be Published
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5J1W
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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5FH7
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1 | | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | | Deposit date: | 2015-12-21 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
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5FE6
 | | Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10) | | Descriptor: | (4-azanylpiperidin-1-yl)-cyclopropyl-methanone, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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5FDZ
 | | Crystal structure of human PCAF bromodomain in complex with compound BDOMB00091a (compound 14) | | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide | | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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5FE3
 | | Crystal structure of human PCAF bromodomain in complex with fragment MB360 (fragment 4) | | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1,2-benzoxazol-3-amine, Histone acetyltransferase KAT2B | | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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5FH8
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ... | | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | | Deposit date: | 2015-12-21 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
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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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5J1V
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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4GW8
 | | Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41 | | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Consensus peptide (Pimtide), ... | | Authors: | Filippakopoulos, P, Bullock, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-09-01 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B.
J.Med.Chem., 55, 2012
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2B49
 | | Crystal Structure of the Catalytic Domain of Protein Tyrosine Phosphatase, non-receptor Type 3 | | Descriptor: | protein tyrosine phosphatase, non-receptor type 3 | | Authors: | Ugochukwu, E, Arrowsmith, C, Barr, A, Bunkoczi, G, Das, S, Debreczeni, J, Edwards, A, Eswaran, J, Knapp, S, Sundstrom, M, Turnbull, A, von Delft, F, Weigelt, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-09-23 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2AHS
 | | Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta, ... | | Authors: | Ugochukwu, E, Eswaran, J, Barr, A, Gileadi, O, Sobott, F, Burgess, N, Ball, L, Bray, J, von Delft, F, Debreczeni, J, Bunkoczi, G, Turnbull, A, Das, S, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-28 | | Release date: | 2005-08-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2NLK
 | | Crystal structure of D1 and D2 catalytic domains of human Protein Tyrosine Phosphatase Gamma (D1+D2 PTPRG) | | Descriptor: | Protein tyrosine phosphatase, receptor type, G variant (Fragment) | | Authors: | Filippakopoulos, P, Gileadi, O, Johansson, C, Ugochukwu, E, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-20 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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8P9C
 | | Crystal structure of p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11 | | Descriptor: | 1,2-ETHANEDIOL, Darpin 1810 F11, Tumor protein 63, ... | | Authors: | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-05 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
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8P9D
 | | Crystal structure of p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 A2 | | Descriptor: | Darpin 1810 A2, Tumor protein 63, Tumor protein p73 | | Authors: | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-05 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
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2VSW
 | | The structure of the rhodanese domain of the human dual specificity phosphatase 16 | | Descriptor: | DUAL SPECIFICITY PROTEIN PHOSPHATASE 16 | | Authors: | Murray, J.W, Barr, A, Pike, A.C.W, Elkins, J, Phillips, C, Wang, J, Savitsky, P, Roos, A, Bishop, S, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Burgess-Brown, N, Pantic, N, Bray, J, von Delft, F, Gileadi, O, Knapp, S. | | Deposit date: | 2008-04-30 | | Release date: | 2008-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structure of the Rhodanese Domain of the Human Dual Specifity Phosphatase 16
To be Published
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2OV2
 | | The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Ugochukwu, E, Yang, X, Elkins, J.M, Burgess-Brown, N, Bunkoczi, G, Debreczeni, J.E.D, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-12 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
To be Published
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