2JFM
| CRYSTAL STRUCTURE OF HUMAN STE20-LIKE KINASE (UNLIGANDED FORM) | Descriptor: | 1,2-ETHANEDIOL, STE20-LIKE SERINE-THREONINE KINASE | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2007-02-02 | Release date: | 2007-02-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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2JII
| Structure of vaccinia related kinase 3 | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE VRK3 MOLECULE: VACCINIA RELATED KINASE 3 | Authors: | Bunkoczi, G, Eswaran, J, Pike, A.C.W, Uppenberg, J, Ugochukwu, E, von Delft, F, Cooper, C, Salah, E, Savitsky, P, Burgess-Brown, N, Keates, T, Fedorov, O, Sobott, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S. | Deposit date: | 2007-06-28 | Release date: | 2007-07-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the pseudokinase VRK3 reveals a degraded catalytic site, a highly conserved kinase fold, and a putative regulatory binding site. Structure, 17, 2009
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2JLD
| Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 | Descriptor: | GLYCOGEN SYNTHASE KINASE-3 BETA, PEPTIDE (ALA-GLY-GLY-ALA-ALA-ALA-ALA-ALA), RUTHENIUM PYRIDOCARBAZOLE | Authors: | Atilla-Gokcumen, G.E, Pagano, N, Streu, C, Maksimoska, J, Filippakopoulos, P, Knapp, S, Meggers, E. | Deposit date: | 2008-09-08 | Release date: | 2008-12-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Extremely Tight Binding of a Ruthenium Complex to Glycogen Synthase Kinase 3. Chembiochem, 9, 2008
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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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2WLZ
| Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline. | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | Authors: | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | Deposit date: | 2009-06-29 | Release date: | 2010-03-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines. Angew.Chem.Int.Ed.Engl., 49, 2010
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6RAA
| CLK1 Kinase domain with bound imidazopyridin inhibitor TP003 | Descriptor: | 1,2-ETHANEDIOL, 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Arrowsmith, C, Knapp, S, Bountra, C, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-05 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CLK1 Kinase domain with bound imidazopyridin inhibitor TP003 To Be Published
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6RCG
| Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Casein kinase I isoform delta, ~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Roush, W.R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-11 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor To Be Published
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6RCT
| Crystal structure of CLK3 in complex with T3-CLK | Descriptor: | 1,2-ETHANEDIOL, 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide, Dual specificity protein kinase CLK3 | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-11 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal structure of CLK3 in complex with TP003 To Be Published
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6RU8
| Crystal structure of Casein Kinase I delta (CK1d) in complex with triple phosphorylated p63 PAD3P peptide | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, ... | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nat.Chem.Biol., 16, 2020
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3F2N
| Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand | Descriptor: | (2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Yue, W.W, Murray, J.W, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-10-30 | Release date: | 2008-12-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand To be Published
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6RU6
| Crystal structure of Casein Kinase I delta (CK1d) in complex with monophosphorylated p63 PAD1P peptide | Descriptor: | 1,2-ETHANEDIOL, Casein kinase I isoform delta, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nat.Chem.Biol., 16, 2020
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3SVF
| Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand | Descriptor: | (4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-07-12 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand TO BE PUBLISHED
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3FME
| Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D) | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, STAUROSPORINE | Authors: | Filippakopoulos, P, Barr, A, Pike, A.C.W, Berridge, G, Elkins, J, Fedorov, O, Keates, T, Savitsky, P, Soundararajan, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-21 | Release date: | 2009-01-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D) To be Published
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6RU7
| Crystal structure of Casein Kinase I delta (CK1d) in complex with double phosphorylated p63 PAD2P peptide | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, ... | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nat.Chem.Biol., 16, 2020
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4NRA
| Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322 | Descriptor: | 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Chaikuad, A, Felletar, I, Ferguson, F.M, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, 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 (1.85 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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2WLY
| Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline. | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | Authors: | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | Deposit date: | 2009-06-29 | Release date: | 2010-03-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chitinase inhibition by chitobiose and chitotriose thiazolines. Angew. Chem. Int. Ed. Engl., 49, 2010
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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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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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8P9E
| Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11 | Descriptor: | Darpin 1810 F11, GLYCEROL, Isoform 2 of 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 (2.25 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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3SOE
| Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3) | Descriptor: | 1,2-ETHANEDIOL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 | Authors: | Ivarsson, Y, Filippakopoulos, P, Picaud, S, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Zimmermann, P, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-30 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3) To be Published
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3S91
| Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain-containing protein 3, ISOPROPYL ALCOHOL | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-31 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1 To be Published
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3FKC
| Crystal Structure of Human Zinc finger and BTB domain containing 33 | Descriptor: | Transcriptional regulator Kaiso | Authors: | Filippakopoulos, P, Bullock, A, Keates, T, Burgess-Brown, N, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-16 | Release date: | 2008-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Human Zinc finger and BTB domain containing 33 To be Published
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3S92
| Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 3 | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-31 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1 To be Published
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3FMD
| Crystal Structure of Human Haspin with an Isoquinoline ligand | Descriptor: | 1,2-ETHANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, 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, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-21 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Haspin with an Isoquinoline ligand To be Published
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6QP5
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