2YEI
 
 | HSP90 inhibitors and drugs from fragment and virtual screening | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE, METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE | Authors: | Roughley, S.D, Hubbard, R.E, Baker, L.M. | Deposit date: | 2011-03-25 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
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2YE2
 
 | HSP90 inhibitors and drugs from fragment and virtual screening | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE, SULFATE ION | Authors: | Roughley, S.D, Hubbard, R.E, Baker, L.M. | Deposit date: | 2011-03-25 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
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2YE5
 
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2YEF
 
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2YE4
 
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2YEC
 
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2YEB
 
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2YEA
 
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2YE7
 
 | HSP90 inhibitors and drugs from fragment and virtual screening | Descriptor: | 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Roughley, S.D, Hubbard, R.E, Baker, L.M. | Deposit date: | 2011-03-25 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
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2YE9
 
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7A4O
 
 | Structure of DYRK1A in complex with AMPNP | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A53
 
 | Structure of DYRK1A in complex with compound 7 | Descriptor: | (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A4R
 
 | Structure of DYRK1A in complex with compound 1 | Descriptor: | 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A55
 
 | Structure of DYRK1A in complex with compound 8 | Descriptor: | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A4W
 
 | Structure of DYRK1A in complex with compound 3 | Descriptor: | 6-(4-methoxyphenyl)pyrimidine-2,4-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A4S
 
 | Structure of DYRK1A in complex with compound 2 | Descriptor: | 7-chlorothieno[3,2-c]pyridin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A4Z
 
 | Structure of DYRK1A in complex with compound 4 | Descriptor: | 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A5D
 
 | Structure of DYRK1A in complex with compound 16 | Descriptor: | 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A52
 
 | Structure of DYRK1A in complex with compound 6 | Descriptor: | 3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A51
 
 | Structure of DYRK1A in complex with compound 5 | Descriptor: | 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A5L
 
 | tructure of DYRK1A in complex with compound 24 | Descriptor: | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A5N
 
 | Structure of DYRK1A in complex with compound 34 | Descriptor: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A5B
 
 | Structure of DYRK1A in complex with complex 10 | Descriptor: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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1PMB
 
 | THE DETERMINATION OF THE CRYSTAL STRUCTURE OF RECOMBINANT PIG MYOGLOBIN BY MOLECULAR REPLACEMENT AND ITS REFINEMENT | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Smerdon, S.J, Oldfield, T.J, Dodson, E.J, Dodson, G.G, Hubbard, R.E, Wilkinson, A.J. | Deposit date: | 1989-11-27 | Release date: | 1990-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Determination of the crystal structure of recombinant pig myoglobin by molecular replacement and its refinement. Acta Crystallogr.,Sect.B, 46, 1990
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1PMI
 
 | Candida Albicans Phosphomannose Isomerase | Descriptor: | PHOSPHOMANNOSE ISOMERASE, ZINC ION | Authors: | Cleasby, A, Skarzynski, T, Wonacott, A, Davies, G.J, Hubbard, R.E, Proudfoot, A.E.I, Wells, T.N.C, Payton, M.A, Bernard, A.R. | Deposit date: | 1996-04-03 | Release date: | 1997-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The x-ray crystal structure of phosphomannose isomerase from Candida albicans at 1.7 angstrom resolution. Nat.Struct.Biol., 3, 1996
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