3UNS
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![BU of 3uns by Molmil](/molmil-images/mine/3uns) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-16 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UOP
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![BU of 3uop by Molmil](/molmil-images/mine/3uop) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-17 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3V13
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![BU of 3v13 by Molmil](/molmil-images/mine/3v13) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-12-09 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UPE
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![BU of 3upe by Molmil](/molmil-images/mine/3upe) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-18 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UQV
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![BU of 3uqv by Molmil](/molmil-images/mine/3uqv) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UY9
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![BU of 3uy9 by Molmil](/molmil-images/mine/3uy9) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-12-06 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3V12
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![BU of 3v12 by Molmil](/molmil-images/mine/3v12) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-12-09 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UNQ
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![BU of 3unq by Molmil](/molmil-images/mine/3unq) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-16 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UUZ
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![BU of 3uuz by Molmil](/molmil-images/mine/3uuz) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-29 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UQO
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![BU of 3uqo by Molmil](/molmil-images/mine/3uqo) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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5LDH
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![BU of 5ldh by Molmil](/molmil-images/mine/5ldh) | |
5J3W
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![BU of 5j3w by Molmil](/molmil-images/mine/5j3w) | |
5J4E
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![BU of 5j4e by Molmil](/molmil-images/mine/5j4e) | |
7A6P
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![BU of 7a6p by Molmil](/molmil-images/mine/7a6p) | |
7YX0
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![BU of 7yx0 by Molmil](/molmil-images/mine/7yx0) | Crystal structure of the full-length short LOV protein SBW25-LOV from Pseudomonas fluorescens (light state) | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Flavin mononucleotide (semi-quinone intermediate), ... | Authors: | Arinkin, V, Batra-Safferling, R, Granzin, J. | Deposit date: | 2022-02-15 | Release date: | 2023-05-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Conserved Signal Transduction Mechanisms and Dark Recovery Kinetic Tuning in the Pseudomonadaceae Short Light, Oxygen, Voltage (LOV) Protein Family. J.Mol.Biol., 2024
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8A36
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![BU of 8a36 by Molmil](/molmil-images/mine/8a36) | |
8A37
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![BU of 8a37 by Molmil](/molmil-images/mine/8a37) | |
8A3U
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![BU of 8a3u by Molmil](/molmil-images/mine/8a3u) | Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (symmetrical variant, trigonal form with short c-axis) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Putative Sensory box protein,Sensor protein FixL | Authors: | Arinkin, V, Batra-Safferling, R, Granzin, J. | Deposit date: | 2022-06-09 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (symmetrical variant, trigonal form
with short c-axis) To Be Published
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8A52
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![BU of 8a52 by Molmil](/molmil-images/mine/8a52) | Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (asymmetrical variant, trigonal form with long c-axis) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Putative Sensory box protein,Putative Sensory box protein,Sensor protein FixL | Authors: | Batra-Safferling, R, Arinkin, V, Granzin, J. | Deposit date: | 2022-06-14 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.461 Å) | Cite: | Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (asymmetrical variant, trigonal form with long c axis) To Be Published
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8A7H
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![BU of 8a7h by Molmil](/molmil-images/mine/8a7h) | Crystal structure of a chimeric LOV-Histidine kinase SB2F1-I66R mutant (light state; asymmetrical variant, trigonal form with long c axis) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Flavin mononucleotide (semi-quinone intermediate), Putative Sensory box protein,Sensor protein FixL | Authors: | Arinkin, V, Granzin, J, Batra-Safferling, R. | Deposit date: | 2022-06-21 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.145 Å) | Cite: | Crystal structure of a chimeric LOV-Histidine kinase SB2F1-I66R mutant (light state; asymmetrical variant, trigonal form with long c axis) To Be Published
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5LUV
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![BU of 5luv by Molmil](/molmil-images/mine/5luv) | |
6GBA
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![BU of 6gba by Molmil](/molmil-images/mine/6gba) | |
2VAG
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![BU of 2vag by Molmil](/molmil-images/mine/2vag) | Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate | Authors: | Pike, A.C.W, Bullock, A.N, Fedorov, O, Pilka, E.S, Ugochukwu, E, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Huber, K, Bracher, F, Knapp, S. | Deposit date: | 2007-08-31 | Release date: | 2007-10-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing. Chem.Biol, 18, 2011
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6GAY
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![BU of 6gay by Molmil](/molmil-images/mine/6gay) | |
6GB3
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![BU of 6gb3 by Molmil](/molmil-images/mine/6gb3) | |