4USE
 
 | | Human STK10 (LOK) with SB-633825 | | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2014-07-07 | | Release date: | 2015-07-22 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
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4UML
 | | Crystal structure of ganglioside induced differentiation associated protein 2 (GDAP2) macro domain | | Descriptor: | GANGLIOSIDE-INDUCED DIFFERENTIATION-ASSOCIATED PROTEIN 2 | | Authors: | Elkins, J.M, Wang, J, Kopec, J, Wang, D, Strain-Damerell, C, Shrestha, L, Sieg, C, Tallant, C, Newman, J.A, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | Deposit date: | 2014-05-19 | | Release date: | 2014-05-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Gdap2
To be Published
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4USF
 | | Human SLK with SB-440719 | | Descriptor: | 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE | | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2014-07-07 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
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4USD
 | | Human STK10 (LOK) with SB-633825 | | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2014-07-07 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
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4V24
 | | Sphingosine kinase 1 in complex with PF-543 | | Descriptor: | ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL | | Authors: | Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A. | | Deposit date: | 2014-10-05 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Sphingosine Kinase 1 with Pf-543.
Acs Med.Chem.Lett., 5, 2014
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1ODN
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN-EXPOSED PRODUCT FROM ANAEROBIC AC-VINYLGLYCINE FE COMPLEX) | | Descriptor: | 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2003-02-19 | | Release date: | 2003-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
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1ODM
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC-VINYLGLYCINE FE COMPLEX) | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2003-02-19 | | Release date: | 2003-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
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1VZ8
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1VZ6
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1VZ7
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1GQW
 | | Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli | | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ... | | Authors: | Elkins, J.M, Ryle, M.J, Clifton, I.J, Dunning-Hotopp, J.C, Lloyd, J.S, Burzlaff, N.I, Baldwin, J.E, Hausinger, R.P, Roach, P.L. | | Deposit date: | 2001-12-05 | | Release date: | 2002-04-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates
Biochemistry, 41, 2002
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1GY9
 | | Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli | | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ... | | Authors: | Elkins, J.M, Burzlaff, N.I, Ryle, M.J, Lloyd, J.S, Clifton, I.J, Baldwin, J.E, Hausinger, R.P, Roach, P.L. | | Deposit date: | 2002-04-22 | | Release date: | 2002-04-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates.
Biochemistry, 41, 2002
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4APC
 | | Crystal Structure of Human NIMA-related Kinase 1 (NEK1) | | Descriptor: | CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1 | | Authors: | Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2012-04-02 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
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1GQ7
 | | PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS | | Descriptor: | MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE | | Authors: | Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S. | | Deposit date: | 2001-11-20 | | Release date: | 2002-06-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Oligomeric structure of proclavaminic acid amidino hydrolase: evolution of a hydrolytic enzyme in clavulanic acid biosynthesis.
Biochem. J., 366, 2002
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1GQ6
 | | PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS | | Descriptor: | MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE | | Authors: | Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S. | | Deposit date: | 2001-11-20 | | Release date: | 2002-06-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Oligomeric Structure of Proclavaminic Acid Amidino Hydrolase: Evolution of a Hydrolytic Enzyme in Clavulanic Acid Biosynthesis
Biochem.J., 366, 2002
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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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1H2N
 | | Factor Inhibiting HIF-1 alpha | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | | Deposit date: | 2002-08-12 | | Release date: | 2002-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
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1H2K
 | | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | | Descriptor: | FACTOR INHIBITING HIF1, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ... | | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | | Deposit date: | 2002-08-12 | | Release date: | 2002-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
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1H2M
 | | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | | Descriptor: | FACTOR INHIBITING HIF1, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, N-OXALYLGLYCINE, ... | | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | | Deposit date: | 2002-08-12 | | Release date: | 2002-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
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1H2L
 | | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | | Descriptor: | 2-OXOGLUTARIC ACID, FACTOR INHIBITING HIF1, FE (II) ION, ... | | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | | Deposit date: | 2002-08-12 | | Release date: | 2002-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
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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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3ZON
 | | Human TYK2 pseudokinase domain bound to a kinase inhibitor | | Descriptor: | 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2 | | Authors: | Elkins, J.M, Wang, J, Krojer, T, Savitsky, P, Chalk, R, Daga, N, Salah, E, Berridge, G, Picaud, S, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | Deposit date: | 2013-02-22 | | Release date: | 2013-04-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Human Tyk2 Pseudokinase Domain Bound to a Kinase Inhibitor
To be Published
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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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6HDR
 | | Human DYRK2 bound to Curcumin | | Descriptor: | DITHIANE DIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, PHOSPHATE ION, ... | | Authors: | Elkins, J.M, Soundararajan, M, Vollmar, M, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S. | | Deposit date: | 2018-08-18 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | DYRK2 bound to Curcumin
To Be Published
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6HDP
 | | Human DYRK2 bound to Scorzodihydrostilbene A | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, Scorzodihydrostilbene A | | Authors: | Elkins, J.M, Soundararajan, M, Proksch, P, Meijer, L, Vollmar, M, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S. | | Deposit date: | 2018-08-18 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DYRK2 bound to Scorzodihydrostilbene A
To Be Published
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