1QBI
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![BU of 1qbi by Molmil](/molmil-images/mine/1qbi) | SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS | Descriptor: | CALCIUM ION, GLYCEROL, PLATINUM (II) ION, ... | Authors: | Oubrie, A, Rozeboom, H.J, Kalk, K.H, Duine, J.A, Dijkstra, B.W. | Deposit date: | 1999-04-22 | Release date: | 2000-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The 1.7 A crystal structure of the apo form of the soluble quinoprotein glucose dehydrogenase from Acinetobacter calcoaceticus reveals a novel internal conserved sequence repeat. J.Mol.Biol., 289, 1999
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1CRU
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![BU of 1cru by Molmil](/molmil-images/mine/1cru) | SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS IN COMPLEX WITH PQQ AND METHYLHYDRAZINE | Descriptor: | CALCIUM ION, GLYCEROL, METHYLHYDRAZINE, ... | Authors: | Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 1999-08-16 | Release date: | 2000-03-01 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Active-site structure of the soluble quinoprotein glucose dehydrogenase complexed with methylhydrazine: a covalent cofactor-inhibitor complex. Proc.Natl.Acad.Sci.USA, 96, 1999
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1C9U
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![BU of 1c9u by Molmil](/molmil-images/mine/1c9u) | CRYSTAL STRUCTURE OF THE SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE IN COMPLEX WITH PQQ | Descriptor: | CALCIUM ION, GLYCEROL, PYRROLOQUINOLINE QUINONE, ... | Authors: | Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 1999-08-03 | Release date: | 2000-02-04 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and mechanism of soluble quinoprotein glucose dehydrogenase. EMBO J., 18, 1999
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1CQ1
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![BU of 1cq1 by Molmil](/molmil-images/mine/1cq1) | Soluble Quinoprotein Glucose Dehydrogenase from Acinetobacter Calcoaceticus in Complex with PQQH2 and Glucose | Descriptor: | CALCIUM ION, PYRROLOQUINOLINE QUINONE, SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE, ... | Authors: | Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 1999-08-04 | Release date: | 2000-02-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and mechanism of soluble quinoprotein glucose dehydrogenase. EMBO J., 18, 1999
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3R2Y
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![BU of 3r2y by Molmil](/molmil-images/mine/3r2y) | MK2 kinase bound to Compound 1 | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MALONATE ION, MAP kinase-activated protein kinase 2 | Authors: | Oubrie, A, Leonard, P. | Deposit date: | 2011-03-15 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3R2B
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![BU of 3r2b by Molmil](/molmil-images/mine/3r2b) | MK2 kinase bound to Compound 5b | Descriptor: | 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 2 | Authors: | Oubrie, A, van Zeeland, M, Versteegh, J. | Deposit date: | 2011-03-14 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3R30
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![BU of 3r30 by Molmil](/molmil-images/mine/3r30) | MK2 kinase bound to Compound 2 | Descriptor: | 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid, MAP kinase-activated protein kinase 2 | Authors: | Oubrie, A, Fisher, M. | Deposit date: | 2011-03-15 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3SHE
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![BU of 3she by Molmil](/molmil-images/mine/3she) | Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series | Descriptor: | MAP kinase-activated protein kinase 3, N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide | Authors: | Oubrie, A, Kazemier, B. | Deposit date: | 2011-06-16 | Release date: | 2011-12-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series. Bioorg.Med.Chem.Lett., 22, 2012
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3R1N
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![BU of 3r1n by Molmil](/molmil-images/mine/3r1n) | MK3 kinase bound to Compound 5b | Descriptor: | 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 3 | Authors: | Oubrie, A, Kazemier, B. | Deposit date: | 2011-03-11 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2G8S
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![BU of 2g8s by Molmil](/molmil-images/mine/2g8s) | Crystal structure of the soluble Aldose sugar dehydrogenase (Asd) from Escherichia coli in the apo-form | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glucose/sorbosone dehydrogenases, ... | Authors: | Southall, S.M, Doel, J.J, Richardson, D.J, Oubrie, A. | Deposit date: | 2006-03-03 | Release date: | 2006-08-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Soluble Aldose Sugar Dehydrogenase from Escherichia coli: A HIGHLY EXPOSED ACTIVE SITE CONFERRING BROAD SUBSTRATE SPECIFICITY. J.Biol.Chem., 281, 2006
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1KB0
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![BU of 1kb0 by Molmil](/molmil-images/mine/1kb0) | |
3DAS
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![BU of 3das by Molmil](/molmil-images/mine/3das) | Structure of the PQQ-bound form of Aldose Sugar Dehydrogenase (Adh) from Streptomyces coelicolor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PYRROLOQUINOLINE QUINONE, ... | Authors: | Southall, S.M, Doel, J.J, Oubrie, A, Richardson, D.J. | Deposit date: | 2008-05-30 | Release date: | 2009-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Enzymatic Characterization of a Thermostable PQQ-dependent Soluble Aldose Sugar Dehydrogenase To be Published
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1ST9
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![BU of 1st9 by Molmil](/molmil-images/mine/1st9) | Crystal Structure of a Soluble Domain of ResA in the Oxidised Form | Descriptor: | 1,2-ETHANEDIOL, Thiol-disulfide oxidoreductase resA | Authors: | Crow, A, Acheson, R.M, Le Brun, N.E, Oubrie, A. | Deposit date: | 2004-03-25 | Release date: | 2004-05-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis of Redox-coupled Protein Substrate Selection by the Cytochrome c Biosynthesis Protein ResA. J.Biol.Chem., 279, 2004
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1SU9
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![BU of 1su9 by Molmil](/molmil-images/mine/1su9) | |
2H1D
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![BU of 2h1d by Molmil](/molmil-images/mine/2h1d) | ResA pH 9.25 | Descriptor: | 1,2-ETHANEDIOL, Thiol-disulfide oxidoreductase resA | Authors: | Lewin, A, Crow, A, Oubrie, A, Le Brun, N.E. | Deposit date: | 2006-05-16 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis for Specificity of the Extracytoplasmic Thioredoxin ResA. J.Biol.Chem., 281, 2006
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2H1B
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![BU of 2h1b by Molmil](/molmil-images/mine/2h1b) | ResA E80Q | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Thiol-disulfide oxidoreductase resA | Authors: | Lewin, A, Crow, A, Oubrie, A, Le Brun, N.E. | Deposit date: | 2006-05-16 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular Basis for Specificity of the Extracytoplasmic Thioredoxin ResA. J.Biol.Chem., 281, 2006
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2H19
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![BU of 2h19 by Molmil](/molmil-images/mine/2h19) | Crystal Structure of ResA Cys77Ala Variant | Descriptor: | 1,2-ETHANEDIOL, Thiol-disulfide oxidoreductase resA | Authors: | Lewin, A, Crow, A, Oubrie, A, Le Brun, N.E. | Deposit date: | 2006-05-16 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Basis for Specificity of the Extracytoplasmic Thioredoxin ResA. J.Biol.Chem., 281, 2006
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2H1A
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![BU of 2h1a by Molmil](/molmil-images/mine/2h1a) | ResA C74A Variant | Descriptor: | 1,2-ETHANEDIOL, Thiol-disulfide oxidoreductase resA | Authors: | Lewin, A, Crow, A, Oubrie, A, Le Brun, N.E. | Deposit date: | 2006-05-16 | Release date: | 2006-09-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular Basis for Specificity of the Extracytoplasmic Thioredoxin ResA. J.Biol.Chem., 281, 2006
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2H1G
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![BU of 2h1g by Molmil](/molmil-images/mine/2h1g) | ResA C74A/C77A | Descriptor: | Thiol-disulfide oxidoreductase resA | Authors: | Lewin, A, Crow, A, Oubrie, A, Le Brun, N.E. | Deposit date: | 2006-05-16 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Molecular Basis for Specificity of the Extracytoplasmic Thioredoxin ResA. J.Biol.Chem., 281, 2006
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3ZR7
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![BU of 3zr7 by Molmil](/molmil-images/mine/3zr7) | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | Descriptor: | 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, GLYCEROL, PROGESTERONE RECEPTOR, ... | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, McGuire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J. Biol. Chem., 286, 2011
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3SOS
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![BU of 3sos by Molmil](/molmil-images/mine/3sos) | Benzothiazinone inhibitor in complex with FXIa | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, Coagulation factor XI, ... | Authors: | Fradera, X, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-30 | Release date: | 2012-04-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors. Acta Crystallogr.,Sect.F, 68, 2012
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3SOR
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![BU of 3sor by Molmil](/molmil-images/mine/3sor) | Factor XIa in complex with a clorophenyl-tetrazole inhibitor | Descriptor: | CITRIC ACID, Coagulation factor XI, {4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid | Authors: | Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-30 | Release date: | 2012-04-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors. Acta Crystallogr.,Sect.F, 68, 2012
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3ZRB
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![BU of 3zrb by Molmil](/molmil-images/mine/3zrb) | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | Descriptor: | (R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE, 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, GLYCEROL, ... | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, Mcguire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J. Biol. Chem., 286, 2011
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3ZRA
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![BU of 3zra by Molmil](/molmil-images/mine/3zra) | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | Descriptor: | N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE, PROGESTERONE RECEPTOR, SULFATE ION | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, McGuire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J. Biol. Chem., 286, 2011
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4APU
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![BU of 4apu by Molmil](/molmil-images/mine/4apu) | PR X-Ray structures in agonist conformations reveal two different mechanisms for partial agonism in 11beta-substituted steroids | Descriptor: | (8S,11R,13S,14S,16S,17S)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one, 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, PROGESTERONE RECEPTOR, ... | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Bosch, R, Vu-Pham, D, McGuire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2012-04-06 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of progesterone receptor ligand binding domain in its agonist state reveal differing mechanisms for mixed profiles of 11 beta-substituted steroids. J. Biol. Chem., 287, 2012
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