3KW1
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![BU of 3kw1 by Molmil](/molmil-images/mine/3kw1) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - Wild type FlK in complex with FAcOPan | Descriptor: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate, Fluoroacetyl-CoA thioesterase | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KUV
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![BU of 3kuv by Molmil](/molmil-images/mine/3kuv) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with acetate. | Descriptor: | ACETATE ION, Fluoroacetyl coenzyme A thioesterase | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-27 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KVU
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![BU of 3kvu by Molmil](/molmil-images/mine/3kvu) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - T42S mutant in complex with Acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KGV
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3KUW
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![BU of 3kuw by Molmil](/molmil-images/mine/3kuw) | Structural basis of the activity ans substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with Fluoro-acetate | Descriptor: | Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-27 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KV7
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![BU of 3kv7 by Molmil](/molmil-images/mine/3kv7) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - wild type FlK in complex with acetate | Descriptor: | ACETATE ION, fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-29 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KV8
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![BU of 3kv8 by Molmil](/molmil-images/mine/3kv8) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - Wild type FlK in complex with fluoro-acetate | Descriptor: | Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-29 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KX7
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![BU of 3kx7 by Molmil](/molmil-images/mine/3kx7) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - apo wild type FlK | Descriptor: | Fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-12-02 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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5CP9
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![BU of 5cp9 by Molmil](/molmil-images/mine/5cp9) | The structure of the NK1 fragment of HGF/SF complexed with MB605 | Descriptor: | 1,2-ETHANEDIOL, 3-(furan-2-yl)propanoic acid, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-21 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5COE
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![BU of 5coe by Molmil](/molmil-images/mine/5coe) | The structure of the NK1 fragment of HGF/SF complexed with HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Ascher, D.B, Chirgadze, D.Y, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-20 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5CSQ
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![BU of 5csq by Molmil](/molmil-images/mine/5csq) | The structure of the NK1 fragment of HGF/SF complexed with MOPS | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5CS9
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![BU of 5cs9 by Molmil](/molmil-images/mine/5cs9) | The structure of the NK1 fragment of HGF/SF complexed with MES | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5CT1
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![BU of 5ct1 by Molmil](/molmil-images/mine/5ct1) | The structure of the NK1 fragment of HGF/SF complexed with CHES | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5CS1
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![BU of 5cs1 by Molmil](/molmil-images/mine/5cs1) | The structure of the NK1 fragment of HGF/SF | Descriptor: | Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5CT2
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![BU of 5ct2 by Molmil](/molmil-images/mine/5ct2) | The structure of the NK1 fragment of HGF/SF complexed with CAPS | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5CS5
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![BU of 5cs5 by Molmil](/molmil-images/mine/5cs5) | The structure of the NK1 fragment of HGF/SF complexed with PIPES | Descriptor: | Hepatocyte growth factor, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID) | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5CT3
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![BU of 5ct3 by Molmil](/molmil-images/mine/5ct3) | The structure of the NK1 fragment of HGF/SF complexed with 2FA | Descriptor: | 3-hydroxypropane-1-sulfonic acid, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5CS3
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![BU of 5cs3 by Molmil](/molmil-images/mine/5cs3) | The structure of the NK1 fragment of HGF/SF complexed with (H)EPPS | Descriptor: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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4RAV
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![BU of 4rav by Molmil](/molmil-images/mine/4rav) | Crystal structure of scFvC4 in complex with the first 17 AA of huntingtin | Descriptor: | Huntingtin, SULFATE ION, Single-chain Fv, ... | Authors: | De Genst, E, Chirgadze, D.Y, Dobson, C.M. | Deposit date: | 2014-09-11 | Release date: | 2015-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a single-chain fv bound to the 17 N-terminal residues of huntingtin provides insights into pathogenic amyloid formation and suppression. J.Mol.Biol., 427, 2015
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4QKK
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![BU of 4qkk by Molmil](/molmil-images/mine/4qkk) | Crystal structure of an oligonucleotide containing 5-formylcytosine | Descriptor: | DNA (5'-D(*CP*TP*AP*(5FC)P*GP*(5FC)P*GP*(5FC)P*GP*TP*AP*G)-3') | Authors: | Raiber, E.-A, Murat, P, Chirgadze, D.Y, Luisi, B.F, Balasubramanian, S. | Deposit date: | 2014-06-06 | Release date: | 2014-12-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 5-Formylcytosine alters the structure of the DNA double helix. Nat.Struct.Mol.Biol., 22, 2015
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4S3K
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4KG0
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![BU of 4kg0 by Molmil](/molmil-images/mine/4kg0) | Crystal structure of the drosophila melanogaster neuralized-nhr1 domain | Descriptor: | MAGNESIUM ION, Protein neuralized | Authors: | Gupta, D, Ehebauer, M.T, Chirgadze, D.Y, Bolanos-Garcia, V.M, Blundell, T.L. | Deposit date: | 2013-04-28 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure, biochemical and biophysical characterisation of NHR1 domain of E3 Ubiquitin ligase neutralized Advances in Enzyme Research, 1, 2013
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5DFB
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![BU of 5dfb by Molmil](/molmil-images/mine/5dfb) | Crystal structure of BRD2(BD2) mutant W370F in the free form | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | Deposit date: | 2015-08-26 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. J.Med.Chem., 59, 2016
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5DFD
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![BU of 5dfd by Molmil](/molmil-images/mine/5dfd) | Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | Deposit date: | 2015-08-26 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. J.Med.Chem., 59, 2016
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5DFC
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![BU of 5dfc by Molmil](/molmil-images/mine/5dfc) | Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound | Descriptor: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 2, GLYCEROL, ... | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | Deposit date: | 2015-08-26 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. J.Med.Chem., 59, 2016
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