1UMP
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![BU of 1ump by Molmil](/molmil-images/mine/1ump) | |
2BVL
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![BU of 2bvl by Molmil](/molmil-images/mine/2bvl) | Crystal structure of the catalytic domain of toxin B from Clostridium difficile in complex with UDP, Glc and manganese ion | Descriptor: | HEXATANTALUM DODECABROMIDE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Reinert, D.J, Jank, T, Aktories, K, Schulz, G.E. | Deposit date: | 2005-06-30 | Release date: | 2005-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for the Function of Clostridium Difficile Toxin B. J.Mol.Biol., 351, 2005
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2BVM
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![BU of 2bvm by Molmil](/molmil-images/mine/2bvm) | Crystal structure of the catalytic domain of toxin B from Clostridium difficile in complex with UDP, Glc and manganese ion | Descriptor: | MANGANESE (II) ION, SULFATE ION, TOXIN B, ... | Authors: | Reinert, D.J, Jank, T, Aktories, K, Schulz, G.E. | Deposit date: | 2005-06-30 | Release date: | 2005-08-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis for the Function of Clostridium Difficile Toxin B. J.Mol.Biol., 351, 2005
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2CB4
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![BU of 2cb4 by Molmil](/molmil-images/mine/2cb4) | Crystal structure of the catalytic domain of the mosquitocidal toxin from Bacillus sphaericus, mutant E197Q | Descriptor: | MOSQUITOCIDAL TOXIN | Authors: | Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | Deposit date: | 2005-12-29 | Release date: | 2006-02-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Mosquitocidal Toxin from Bacillus Sphaericus. J.Mol.Biol., 357, 2006
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2CB6
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![BU of 2cb6 by Molmil](/molmil-images/mine/2cb6) | Crystal structure of the catalytic domain of the mosquitocidal toxin from Bacillus sphaericus, mutant E195Q | Descriptor: | MOSQUITOCIDAL TOXIN | Authors: | Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | Deposit date: | 2005-12-29 | Release date: | 2006-02-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Mosquitocidal Toxin from Bacillus Sphaericus. J.Mol.Biol., 357, 2006
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3ZGD
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![BU of 3zgd by Molmil](/molmil-images/mine/3zgd) | crystal structure of a KEAP1 mutant | Descriptor: | ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SODIUM ION | Authors: | Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H. | Deposit date: | 2012-12-17 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments. Acta Crystallogr.,Sect.F, 69, 2013
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3ZGC
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![BU of 3zgc by Molmil](/molmil-images/mine/3zgc) | crystal structure of the KEAP1-NEH2 complex | Descriptor: | ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, NUCLEAR FACTOR ERYTHROID 2-RELATED FACTOR 2 | Authors: | Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H. | Deposit date: | 2012-12-17 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments. Acta Crystallogr.,Sect.F, 69, 2013
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4BB9
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![BU of 4bb9 by Molmil](/molmil-images/mine/4bb9) | Crystal structure of glucokinase regulatory protein complexed to fructose-1-phosphate | Descriptor: | 1-O-phosphono-beta-D-fructopyranose, CALCIUM ION, GLUCOKINASE REGULATORY PROTEIN | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinert, D, Heckel, A, Schnapp, G, Kauschke, S.G. | Deposit date: | 2012-09-21 | Release date: | 2013-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal Structure of Glucokinase Regulatory Protein. Biochemistry, 52, 2013
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9FXP
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![BU of 9fxp by Molmil](/molmil-images/mine/9fxp) | Crystal structure of BRD4 BD1 with DI00626383. | Descriptor: | 4-methoxy-1,2-benzoxazol-3-amine, Bromodomain-containing protein 4 | Authors: | Bader, G, Reinert, D. | Deposit date: | 2024-07-02 | Release date: | 2024-08-07 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J.Med.Chem., 67, 2024
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2VSE
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![BU of 2vse by Molmil](/molmil-images/mine/2vse) | Structure and mode of action of a mosquitocidal holotoxin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, MOSQUITOCIDAL TOXIN | Authors: | Treiber, N, Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | Deposit date: | 2008-04-22 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Mode of Action of a Mosquitocidal Holotoxin. J.Mol.Biol., 381, 2008
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2VSA
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![BU of 2vsa by Molmil](/molmil-images/mine/2vsa) | Structure and mode of action of a mosquitocidal holotoxin | Descriptor: | MOSQUITOCIDAL TOXIN | Authors: | Treiber, N, Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | Deposit date: | 2008-04-22 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure and Mode of Action of a Mosquitocidal Holotoxin J.Mol.Biol., 381, 2008
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1O6H
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![BU of 1o6h by Molmil](/molmil-images/mine/1o6h) | Squalene-Hopene Cyclase | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-10-03 | Release date: | 2003-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1O79
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![BU of 1o79 by Molmil](/molmil-images/mine/1o79) | Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-(4-CHLOROPHENYL)-ESTER, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-10-27 | Release date: | 2003-10-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1O6Q
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![BU of 1o6q by Molmil](/molmil-images/mine/1o6q) | Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-10-13 | Release date: | 2003-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1O6R
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![BU of 1o6r by Molmil](/molmil-images/mine/1o6r) | Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-HEXYL-}-METHYL-AMIN, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-10-13 | Release date: | 2003-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1H3B
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![BU of 1h3b by Molmil](/molmil-images/mine/1h3b) | Squalene-Hopene Cyclase | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-3-YL)PHENOXY]HEXYL}-N-METHYL-2-PROPEN-1-AMINE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-08-25 | Release date: | 2003-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1H35
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![BU of 1h35 by Molmil](/molmil-images/mine/1h35) | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | Descriptor: | (4'-{[ALLYL(METHYL)AMINO]METHYL}-1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-08-24 | Release date: | 2003-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1H3C
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![BU of 1h3c by Molmil](/molmil-images/mine/1h3c) | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISOTHIAZOL-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-08-25 | Release date: | 2003-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1H39
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![BU of 1h39 by Molmil](/molmil-images/mine/1h39) | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-N-METHYLAMINE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-08-24 | Release date: | 2003-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1H36
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![BU of 1h36 by Molmil](/molmil-images/mine/1h36) | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | Descriptor: | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-08-24 | Release date: | 2003-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1H3A
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![BU of 1h3a by Molmil](/molmil-images/mine/1h3a) | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | Descriptor: | (2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METHYL-1H-INDAZOL-6-YL]OXY}-N-METHYL-2-BUTEN-1-AMINE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-08-24 | Release date: | 2003-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1H37
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![BU of 1h37 by Molmil](/molmil-images/mine/1h37) | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE, {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-08-24 | Release date: | 2003-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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