1YLI
 
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4AF3
 | | Human Aurora B Kinase in complex with INCENP and VX-680 | | Descriptor: | AURORA KINASE B, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, INNER CENTROMERE PROTEIN | | Authors: | Elkins, J.M, Vollmar, M, Wang, J, Picaud, S, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S. | | Deposit date: | 2012-01-16 | | Release date: | 2012-04-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of Human Aurora B in Complex with Incenp and Vx-680.
J.Med.Chem., 55, 2012
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3HMF
 | | Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein polybromo-1, ... | | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Muniz, J, 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 (1.63 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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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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4AZE
 | | Human DYRK1A in complex with Leucettine L41 | | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A | | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | | Deposit date: | 2012-06-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Selectivity, Co-Crystal 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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4AZF
 | | Human DYRK2 in complex with Leucettine L41 | | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ... | | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | | Deposit date: | 2012-06-25 | | Release date: | 2012-09-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Selectivity, Co-Crystal 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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2DUA
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2WEL
 | | Crystal structure of SU6656-bound calcium/calmodulin-dependent protein kinase II delta in complex with calmodulin | | Descriptor: | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Pike, A.C.W, Rellos, P, Salah, E, Burgess-Brown, N, Keates, T, Muniz, J, Sethi, R, Roos, A, Filippakopoulos, P, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Bountra, C, Knapp, S. | | Deposit date: | 2009-03-31 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
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2WWW
 | | Crystal Structure of Methylmalonic Acidemia Type A Protein | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, METHYLMALONIC ACIDURIA TYPE A PROTEIN, MITOCHONDRIAL, ... | | Authors: | Muniz, J.R.C, Gileadi, C, Froese, D.S, Yue, W.W, Pike, A.C.W, von Delft, F, Kochan, G, Sethi, R, Chaikuad, A, Pilka, E, Picaud, S, Phillips, C, Guo, K, Krysztofinska, E, Bray, J, Burgess-Brown, N, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gravel, R.A, Kavanagh, K.L, Oppermann, U. | | Deposit date: | 2009-10-30 | | Release date: | 2009-11-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
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2VZ6
 | | Structure of human calcium calmodulin dependent protein kinase type II alpha (CAMK2A) in complex with Indirubin E804 | | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, CALCIUM CALMODULIN DEPENDENT PROTEIN KINASE TYPE II ALPHA CHAIN, S-1,2-PROPANEDIOL | | Authors: | Pike, A.C.W, Rellos, P, King, O, Salah, E, Parizotto, E, Fedorov, O, Shrestha, L, Burgess-Brown, N, Roos, A, Murray, J.W, von Delft, F, Edwards, A, Arrowsmith, C.H, Wikstroem, M, Bountra, C, Knapp, S. | | Deposit date: | 2008-07-30 | | Release date: | 2008-08-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
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2XIQ
 | | Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin and malonyl-CoA | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, MALONYL-COENZYME A, ... | | Authors: | Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Ugochukwu, E, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2010-06-30 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
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2WWU
 | | Crystal structure of the catalytic domain of PHD finger protein 8 | | Descriptor: | ACETATE ION, NICKEL (II) ION, PHD FINGER PROTEIN 8, ... | | Authors: | Yue, W.W, Hozjan, V, Cooper, C, Tumber, A, Krojer, T, Muniz, J, Allerston, C, Salah, E, McDonough, M.A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C.J, Kavanagh, K.L, Oppermann, U. | | Deposit date: | 2009-10-29 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
FEBS Lett., 584, 2010
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3ZLI
 | | Crystal structure of JmjC domain of human histone demethylase UTY | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ... | | Authors: | Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, Raynor, J.W, Bradley, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2013-01-31 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human Uty(Kdm6C) is a Male-Specific Nepsilon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
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2YGW
 | | Crystal structure of human MCD | | Descriptor: | 1,2-ETHANEDIOL, MALONYL-COA DECARBOXYLASE, MITOCHONDRIAL, ... | | Authors: | Vollmar, M, Puranik, S, Krojer, T, Savitsky, P, Allerston, C, Yue, W.W, Chaikuad, A, von Delft, F, Gileadi, O, Kavanagh, K, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | | Deposit date: | 2011-04-21 | | Release date: | 2012-02-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Malonyl-Coenzyme a Decarboxylase Provide Insights Into its Catalytic Mechanism and Disease-Causing Mutations.
Structure, 21, 2013
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3ZHP
 | | Human MST3 (STK24) in complex with MO25beta | | Descriptor: | CALCIUM-BINDING PROTEIN 39-LIKE, SERINE/THREONINE-PROTEIN KINASE 24, SULFATE ION | | Authors: | Elkins, J.M, Szklarz, M, Krojer, T, Mehellou, Y, Alessi, D.R, Chaikaud, A, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | Deposit date: | 2012-12-24 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Insights Into the Activation of Mst3 by Mo25.
Biochem.Biophys.Res.Commun., 431, 2013
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2WH5
 | | Crystal structure of human acyl-CoA binding domain 4 complexed with stearoyl-CoA | | Descriptor: | ACYL-COA-BINDING DOMAIN-CONTAINING PROTEIN 4, COENZYME A, STEARIC ACID, ... | | Authors: | Yue, W.W, Shafqat, N, Ugochukwu, E, Savitsky, P, Johansson, C, Salah, E, Roos, A.K, Chaikuad, A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-04-30 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Human Acyl-Coa Binding Domain 4
To be Published
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2W2C
 | | STRUCTURE OF THE TETRADECAMERIC OLIGOMERISATION DOMAIN OF CALCIUM- CALMODULIN DEPENDENT PROTEIN KINASE II DELTA | | Descriptor: | ACETATE ION, CADMIUM ION, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN | | Authors: | Pike, A.C.W, Rellos, P, Sethi, R, Salah, E, Burgess-Brown, N, Shrestha, L, Roos, A, Murray, J.W, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S. | | Deposit date: | 2008-10-28 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
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2Z5D
 | | Human ubiquitin-conjugating enzyme E2 H | | Descriptor: | SODIUM ION, Ubiquitin-conjugating enzyme E2 H | | Authors: | Bochkarev, A, Cui, H, Walker, J.R, Newman, E.M, Mackenzie, F, Battaile, K.P, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-06 | | Release date: | 2007-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
MOL.CELL PROTEOMICS, 11, 2012
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2HRW
 | | Crystal Structure of Phosphonopyruvate Hydrolase | | Descriptor: | CHLORIDE ION, Phosphonopyruvate hydrolase, SODIUM ION | | Authors: | Chen, C.C.H, Herzberg, O. | | Deposit date: | 2006-07-20 | | Release date: | 2006-10-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily
Biochemistry, 45, 2006
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2WA0
 | | Crystal structure of the human MAGEA4 | | Descriptor: | MELANOMA-ASSOCIATED ANTIGEN 4 | | Authors: | Roos, A.K, Cooper, C.D.O, Ugochukwu, E, W Yue, W, Berridge, G, Elkins, J.M, Pike, A.C.W, Bray, J, Filippakopoulos, P, Muniz, J, Chaikuad, A, Burgess-Brown, N, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O, Oppermann, U. | | Deposit date: | 2009-01-31 | | Release date: | 2009-03-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
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4ESP
 | | Crystal Structure of Peanut Allergen Ara h 5 | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Profilin | | Authors: | Wang, Y, Zhang, Y.Z. | | Deposit date: | 2012-04-23 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal Structure of Peanut ( Arachis hypogaea ) Allergen Ara h 5.
J.Agric.Food Chem., 61, 2013
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2XIJ
 | | Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, ... | | Authors: | Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Vollmar, M, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2010-06-30 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
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487D
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2XYN
 | | HUMAN ABL2 IN COMPLEX WITH AURORA KINASE INHIBITOR VX-680 | | Descriptor: | CHLORIDE ION, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SODIUM ION, ... | | Authors: | Salah, E, Ugochukwu, E, Elkins, J.M, Barr, A.J, Shrestha, B, Savitsky, P, Mahajan, P, Muniz, J.R.C, Yue, W.W, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-11-18 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal Structures of Abl-Related Gene (Abl2) in Complex with Imatinib, Tozasertib (Vx-680), and a Type I Inhibitor of the Triazole Carbothioamide Class.
J.Med.Chem., 54, 2011
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7B9B
 | | Crystal structure of human 5' exonuclease Appollo APO form | | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-12-14 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
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