6YTA
| CLK1 bound with imidazopyridazine (Cpd 1) | Descriptor: | 1,2-ETHANEDIOL, 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
|
|
6YTG
| CLK1 bound with beta-carboline KH-CARB13 (Cpd 3) | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Huber, K, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
|
|
6YTY
| CLK3 A319V mutant bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
|
|
6YTE
| CLK1 bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
|
|
6I5H
| Crystal structure of CLK1 in complex with furanopyrimidin VN412 | Descriptor: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ... | Authors: | Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
4P6S
| Crystal Structure of tyrosinase from Bacillus megaterium with L-DOPA in the active site | Descriptor: | 3,4-DIHYDROXYPHENYLALANINE, Tyrosinase, ZINC ION | Authors: | Goldfeder, M, Kanteev, M, Adir, N, Fishman, A. | Deposit date: | 2014-03-25 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Determination of tyrosinase substrate-binding modes reveals mechanistic differences between type-3 copper proteins. Nat Commun, 5, 2014
|
|
6ZLN
| CLK1 bound with GW807982X (Cpd 8) | Descriptor: | 1,2-ETHANEDIOL, 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-30 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
|
|
6Z2V
| CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3) | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | Authors: | Schroeder, M, Chaikuad, A, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-18 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
|
|
4P6R
| Crystal Structure of tyrosinase from Bacillus megaterium with tyrosine in the active site | Descriptor: | TYROSINE, Tyrosinase, ZINC ION | Authors: | Goldfeder, M, Kanteev, M, Adir, N, Fishman, A. | Deposit date: | 2014-03-25 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Determination of tyrosinase substrate-binding modes reveals mechanistic differences between type-3 copper proteins. Nat Commun, 5, 2014
|
|
4HD6
| Crystal Structure of Tyrosinase from Bacillus megaterium V218F mutant soaked in CuSO4 | Descriptor: | COPPER (II) ION, Tyrosinase | Authors: | Goldfeder, M, Kanteev, M, Adir, N, Fishman, A. | Deposit date: | 2012-10-02 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Influencing the monophenolase/diphenolase activity ratio in tyrosinase. Biochim.Biophys.Acta, 1834, 2013
|
|
4HD4
| Crystal Structure of Tyrosinase from Bacillus megaterium V218F mutant | Descriptor: | COPPER (II) ION, Tyrosinase | Authors: | Goldfeder, M, Kanteev, M, Adir, N, Fishman, A. | Deposit date: | 2012-10-02 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Influencing the monophenolase/diphenolase activity ratio in tyrosinase. Biochim.Biophys.Acta, 1834, 2013
|
|
4HD7
| Crystal Structure of Tyrosinase from Bacillus megaterium V218G mutant soaked in CuSO4 | Descriptor: | COPPER (II) ION, Tyrosinase | Authors: | Goldfeder, M, Kanteev, M, Adir, N, Fishman, A. | Deposit date: | 2012-10-02 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Influencing the monophenolase/diphenolase activity ratio in tyrosinase. Biochim.Biophys.Acta, 1834, 2013
|
|
2VIN
| Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | (2R)-1-(2,6-dimethylphenoxy)propan-2-amine, ACETATE ION, SULFATE ION, ... | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator J.Med.Chem., 51, 2008
|
|
2VIP
| Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE, ACETATE ION, SULFATE ION, ... | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator J.Med.Chem., 51, 2008
|
|
2VIO
| Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator J.Med.Chem., 51, 2008
|
|
2VIV
| Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
|
|
2VIQ
| Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
|
|
2VIW
| Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
|
|
2K37
| CsmA | Descriptor: | Chlorosome Protein A | Authors: | Pedersen, M, Dittmer, J, Underhaug, J, Miller, M, Nielsen, N.C. | Deposit date: | 2008-04-23 | Release date: | 2008-09-02 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | The three-dimensional structure of CsmA: A small antenna protein from the green sulfur bacterium Chlorobium tepidum. Febs Lett., 582, 2008
|
|
1HSO
| HUMAN ALPHA ALCOHOL DEHYDROGENASE (ADH1A) | Descriptor: | 4-IODOPYRAZOLE, CLASS I ALCOHOL DEHYDROGENASE 1, ALPHA SUBUNIT, ... | Authors: | Niederhut, M.S, Gibbons, B.J, Perez-Miller, S, Hurley, T.D. | Deposit date: | 2000-12-27 | Release date: | 2001-01-10 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structures of the three human class I alcohol dehydrogenases. Protein Sci., 10, 2001
|
|
1HT0
| HUMAN GAMMA-2 ALCOHOL DEHYDROGENSE | Descriptor: | CLASS I ALCOHOL DEHYDROGENASE 3, GAMMA SUBUNIT, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Niederhut, M.S, Gibbons, B.J, Perez-Miller, S, Hurley, T.D. | Deposit date: | 2000-12-27 | Release date: | 2001-01-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structures of the three human class I alcohol dehydrogenases. Protein Sci., 10, 2001
|
|
1HSZ
| HUMAN BETA-1 ALCOHOL DEHYDROGENASE (ADH1B*1) | Descriptor: | CLASS I ALCOHOL DEHYDROGENASE 1, BETA SUBUNIT, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Niederhut, M.S, Gibbons, B.J, Perez-Miller, S, Hurley, T.D. | Deposit date: | 2000-12-27 | Release date: | 2001-01-10 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of the three human class I alcohol dehydrogenases. Protein Sci., 10, 2001
|
|
4UJ8
| Structure of surface layer protein SbsC, domains 6-7 | Descriptor: | CALCIUM ION, SURFACE LAYER PROTEIN | Authors: | Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W. | Deposit date: | 2015-04-08 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Surface Layer Protein Sbsc To be Published
|
|
4UJ6
| Structure of surface layer protein SbsC, domains 1-6 | Descriptor: | SURFACE LAYER PROTEIN | Authors: | Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W. | Deposit date: | 2015-04-08 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of Surface Layer Protein Sbsc, Domains 1-6 To be Published
|
|
4UJ7
| Structure of the S-layer protein SbsC, domains 5-6 | Descriptor: | CALCIUM ION, SURFACE LAYER PROTEIN | Authors: | Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W. | Deposit date: | 2015-04-08 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structure of the S-Layer Protein Sbsc, Domains 5-6 To be Published
|
|