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4USD
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BU of 4usd by Molmil
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:2018-09-19
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
4USF
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BU of 4usf by Molmil
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:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
1H2L
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BU of 1h2l by Molmil
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:2018-02-21
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
4UML
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BU of 4uml by Molmil
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
4USE
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BU of 4use by Molmil
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
1ODN
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BU of 1odn by Molmil
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:2023-12-13
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
1ODM
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BU of 1odm by Molmil
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:2023-12-13
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
6HDR
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BU of 6hdr by Molmil
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
6HDP
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BU of 6hdp by Molmil
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
1VZ8
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BU of 1vz8 by Molmil
Ornithine Acetyltransferase (ORF6 Gene Product - Clavulanic Acid Biosynthesis) from Streptomyces clavuligerus (SeMet structure)
Descriptor: ORNITHINE ACETYL-TRANSFERASE, SULFATE ION
Authors:Elkins, J.M, Kershaw, N.J, Schofield, C.J.
Deposit date:2004-05-14
Release date:2004-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:X-Ray Crystal Structure of Ornithine Acetyltransferase from the Clavulanic Acid Biosynthesis Gene Cluster.
Biochem.J., 385, 2005
1VZ7
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BU of 1vz7 by Molmil
Ornithine Acetyltransferase (ORF6 Gene Product - Clavulanic Acid Biosynthesis) from Streptomyces clavuligerus
Descriptor: ORNITHINE ACETYL-TRANSFERASE, SULFATE ION
Authors:Elkins, J.M, Kershaw, N.J, Schofield, C.J.
Deposit date:2004-05-14
Release date:2004-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-Ray Crystal Structure of Ornithine Acetyltransferase from the Clavulanic Acid Biosynthesis Gene Cluster.
Biochem.J., 385, 2005
1VZ6
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BU of 1vz6 by Molmil
Ornithine Acetyltransferase (ORF6 Gene Product - Clavulanic Acid Biosynthesis) from Streptomyces clavuligerus
Descriptor: ORNITHINE ACETYL-TRANSFERASE, SULFATE ION
Authors:Elkins, J.M, Kershaw, N.J, Schofield, C.J.
Deposit date:2004-05-14
Release date:2004-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:X-Ray Crystal Structure of Ornithine Acetyltransferase from the Clavulanic Acid Biosynthesis Gene Cluster.
Biochem.J., 385, 2005
1GQ7
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BU of 1gq7 by Molmil
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
1H2N
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BU of 1h2n by Molmil
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:2018-02-21
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
1GQW
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BU of 1gqw by Molmil
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:2011-07-13
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
1H2M
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BU of 1h2m by Molmil
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:2018-02-21
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
1GQ6
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BU of 1gq6 by Molmil
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:2011-07-13
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
1H2K
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BU of 1h2k by Molmil
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:2018-02-21
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
1GY9
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BU of 1gy9 by Molmil
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
4B99
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BU of 4b99 by Molmil
Crystal Structure of MAPK7 (ERK5) with inhibitor
Descriptor: 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 7
Authors:Elkins, J.M, Wang, J, Vollmar, M, Mahajan, P, Savitsky, P, Deng, X, Gray, N.S, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2012-09-03
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-Ray Crystal Structure of Erk5 (Mapk7) in Complex with a Specific Inhibitor.
J.Med.Chem., 56, 2013
2BYG
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BU of 2byg by Molmil
2nd PDZ Domain of Discs Large Homologue 2
Descriptor: CHANNEL ASSOCIATED PROTEIN OF SYNAPSE-110
Authors:Elkins, J.M, Schoch, G.A, Smee, C.E.A, Berridge, G, Salah, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-08-01
Release date:2005-08-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions.
Protein Sci., 16, 2007
5AJQ
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BU of 5ajq by Molmil
Human LOK (STK10) in complex with Bosutinib
Descriptor: 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, CHLORIDE ION, ...
Authors:Elkins, J.M, Salah, E, Pinkas, D.M, Krojer, T, Kopec, J, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Stk10 with Bosutinib
To be Published
5AIK
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BU of 5aik by Molmil
Human DYRK1A in complex with LDN-211898
Descriptor: 4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3,4-B]INDOL-9-yl)butan-1-amine, DYRK1A DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 1A, PHOSPHATE ION
Authors:Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Cuny, G, Higgins, J, Edwards, A, Bountra, C, Knapp, S.
Deposit date:2015-02-15
Release date:2015-02-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dyrk1A with Ldn-211898
To be published
3ZON
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BU of 3zon by Molmil
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
2VAC
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BU of 2vac by Molmil
Structure of N-terminal Actin Depolymerizing Factor homology (ADF-H) domain of human twinfilin-2
Descriptor: 1,2-ETHANEDIOL, TWINFILIN-2, ZINC ION
Authors:Elkins, J.M, Pike, A.C.W, King, O, Salah, E, Savitsky, P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Knapp, S.
Deposit date:2007-08-30
Release date:2007-10-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of N-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin-2
To be Published

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