3RUB
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![BU of 3rub by Molmil](/molmil-images/mine/3rub) | CRYSTAL STRUCTURE OF THE UNACTIVATED FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM TOBACCO REFINED AT 2.0-ANGSTROMS RESOLUTION | 分子名称: | ASPARAGINE, RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE, FORM III, ... | 著者 | Schreuder, H, Cascio, D, Curmi, P.M.G, Chapman, M.S, Suh, S.W, Eisenberg, D.S. | 登録日 | 1990-05-25 | 公開日 | 1992-10-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the unactivated form of ribulose-1,5-bisphosphate carboxylase/oxygenase from tobacco refined at 2.0-A resolution. J.Biol.Chem., 267, 1992
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5LRK
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![BU of 5lrk by Molmil](/molmil-images/mine/5lrk) | Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin F complex | 分子名称: | Anabaenopeptin F, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-08-19 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). Sci Rep, 6, 2016
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5LRJ
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![BU of 5lrj by Molmil](/molmil-images/mine/5lrj) | Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin C complex | 分子名称: | Anabaenopeptin C, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-08-19 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). Sci Rep, 6, 2016
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5LRG
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![BU of 5lrg by Molmil](/molmil-images/mine/5lrg) | Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin B complex | 分子名称: | Anabaenopeptin B, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-08-19 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). Sci Rep, 6, 2016
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2BMG
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![BU of 2bmg by Molmil](/molmil-images/mine/2bmg) | Crystal structure of factor Xa in complex with 50 | 分子名称: | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-4-YL)METHYL]BENZAMIDE, CALCIUM ION, COAGULATION FACTOR X | 著者 | Schreuder, H, Matter, H, Will, D.W, Nazare, M, Laux, V, Wehner, V, Loenze, P, Liesum, A. | 登録日 | 2005-03-14 | 公開日 | 2006-03-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Requirements for Factor Xa Inhibition by 3-Oxybenzamides with Neutral P1 Substituents: Combining X-Ray Crystallography, 3D-Qsar and Tailored Scoring Functions J.Med.Chem., 48, 2005
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2BHK
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![BU of 2bhk by Molmil](/molmil-images/mine/2bhk) | Crystal structure of human growth and differentiation factor 5 (GDF5) | 分子名称: | GROWTH DIFFERENTIATION FACTOR 5, ISOPROPYL ALCOHOL | 著者 | Schreuder, H, Liesum, A, Pohl, J, Kruse, M, Koyama, M. | 登録日 | 2005-01-12 | 公開日 | 2005-03-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structure of Recombinant Human Growth Differentiation Factor 5. Evidence for Interaction of the Type I and Type II Receptor Binding Sites. Biochem.Biophys.Res.Commun., 329, 2005
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5LYI
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![BU of 5lyi by Molmil](/molmil-images/mine/5lyi) | Crystal structure of 1 in complex with tafCPB | 分子名称: | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-09-28 | 公開日 | 2016-10-26 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). J. Med. Chem., 59, 2016
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5LYF
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![BU of 5lyf by Molmil](/molmil-images/mine/5lyf) | Crystal structure of 1 in complex with tafCPB | 分子名称: | (2~{S})-6-azanyl-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-09-28 | 公開日 | 2016-10-26 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). J. Med. Chem., 59, 2016
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5LYD
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![BU of 5lyd by Molmil](/molmil-images/mine/5lyd) | Crystal structure of 1 in complex with tafCPB | 分子名称: | (2~{S})-6-azanyl-2-(sulfamoylamino)hexanoic acid, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-09-27 | 公開日 | 2016-10-26 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). J. Med. Chem., 59, 2016
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5LYL
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![BU of 5lyl by Molmil](/molmil-images/mine/5lyl) | Crystal structure of 1 in complex with tafCPB | 分子名称: | (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-09-28 | 公開日 | 2016-10-26 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). J. Med. Chem., 59, 2016
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1BZS
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![BU of 1bzs by Molmil](/molmil-images/mine/1bzs) | CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909 | 分子名称: | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Schreuder, H, Brachvogel, V, Loenze, P. | 登録日 | 1998-11-04 | 公開日 | 2000-05-31 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Quantitative structure-activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure analysis. J.Med.Chem., 42, 1999
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4RUB
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![BU of 4rub by Molmil](/molmil-images/mine/4rub) | A CRYSTAL FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM NICOTIANA TABACUM IN THE ACTIVATED STATE | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ... | 著者 | Schreuder, H, Cascio, D, Curmi, P.M.G, Eisenberg, D. | 登録日 | 1990-05-25 | 公開日 | 1992-10-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A crystal form of ribulose-1,5-bisphosphate carboxylase/oxygenase from Nicotiana tabacum in the activated state. J.Mol.Biol., 197, 1987
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1AD8
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![BU of 1ad8 by Molmil](/molmil-images/mine/1ad8) | COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY | 分子名称: | HIRUDIN (53-65) PEPTIDE, SODIUM ION, THROMBIN (LARGE SUBUNIT), ... | 著者 | Schreuder, H, Tardif, C, Malikayil, J.A. | 登録日 | 1997-02-24 | 公開日 | 1997-11-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety. Biochemistry, 36, 1997
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3DGV
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![BU of 3dgv by Molmil](/molmil-images/mine/3dgv) | Crystal structure of thrombin activatable fibrinolysis inhibitor (TAFI) | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Anand, K, Pallares, I, Valnickova, Z, Christensen, T, Schreuder, H, Enghild, J. | 登録日 | 2008-06-16 | 公開日 | 2008-07-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of thrombin-activable fibrinolysis inhibitor (TAFI) provides the structural basis for its intrinsic activity and the short half-life of TAFIa. J.Biol.Chem., 283, 2008
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2BQW
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![BU of 2bqw by Molmil](/molmil-images/mine/2bqw) | CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45 | 分子名称: | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-28 | 公開日 | 2006-04-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BOH
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![BU of 2boh by Molmil](/molmil-images/mine/2boh) | Crystal structure of factor Xa in complex with compound "1" | 分子名称: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR XA | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-11 | 公開日 | 2006-04-05 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BQ7
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![BU of 2bq7 by Molmil](/molmil-images/mine/2bq7) | Crystal structure of factor Xa in complex with 43 | 分子名称: | CALCIUM ION, COAGULATION FACTOR X, FACTOR XA, ... | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-27 | 公開日 | 2006-04-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BQ6
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![BU of 2bq6 by Molmil](/molmil-images/mine/2bq6) | Crystal structure of factor Xa in complex with 21 | 分子名称: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-27 | 公開日 | 2006-04-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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4AZ0
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![BU of 4az0 by Molmil](/molmil-images/mine/4az0) | crystal structure of cathepsin a, complexed with 8a. | 分子名称: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | 著者 | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | 登録日 | 2012-06-22 | 公開日 | 2012-09-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
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4AZ3
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![BU of 4az3 by Molmil](/molmil-images/mine/4az3) | crystal structure of cathepsin a, complexed with 15a | 分子名称: | (3S)-3-({[1-(2-fluorophenyl)-5-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | 著者 | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | 登録日 | 2012-06-22 | 公開日 | 2012-09-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
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4A7I
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![BU of 4a7i by Molmil](/molmil-images/mine/4a7i) | Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor | 分子名称: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ... | 著者 | Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V. | 登録日 | 2011-11-14 | 公開日 | 2012-02-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes. Angew.Chem.Int.Ed.Engl., 51, 2012
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4J23
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![BU of 4j23 by Molmil](/molmil-images/mine/4j23) | Low resolution crystal structure of the FGFR2D2D3/FGF1/SR128545 complex | 分子名称: | Fibroblast growth factor 1, Fibroblast growth factor receptor 2 | 著者 | Kudlinzki, D, Saxena, K, Sreeramulu, S, Schieborr, U, Dreyer, M, Schreuder, H, Schwalbe, H. | 登録日 | 2013-02-04 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.882 Å) | 主引用文献 | Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling. Cancer Cell, 23, 2013
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2FIR
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![BU of 2fir by Molmil](/molmil-images/mine/2fir) | Crystal structure of DFPR-VIIa/sTF | 分子名称: | CALCIUM ION, CHLORIDE ION, Coagulation factor VII Heavy Chain (EC 3.4.21.21), ... | 著者 | Bajaj, S.P, Schmidt, A.E, Padmanabhan, K, Bajaj, M.S, Prevost, D, Schreuder, H. | 登録日 | 2005-12-30 | 公開日 | 2006-07-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | High Resolution Structures of p-Aminobenzamidine- and Benzamidine-VIIa/Soluble Tissue Factor: Unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+ and Zn2+ sites in factor VIIa J.Biol.Chem., 281, 2006
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1GK1
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![BU of 1gk1 by Molmil](/molmil-images/mine/1gk1) | Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C | 分子名称: | CEPHALOSPORIN ACYLASE, GLYCEROL | 著者 | Fritz-Wolf, K, Koller, K.P, Lange, G, Liesum, A, Sauber, K, Schreuder, H, Aretz, W, Kabsch, W. | 登録日 | 2001-08-07 | 公開日 | 2002-01-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C. Protein Sci., 11, 2002
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1GK0
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![BU of 1gk0 by Molmil](/molmil-images/mine/1gk0) | Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C | 分子名称: | 1,2-ETHANEDIOL, CEPHALOSPORIN ACYLASE, PHOSPHATE ION | 著者 | Fritz-Wolf, K, Koller, K.P, Lange, G, Liesum, A, Sauber, K, Schreuder, H, Aretz, W, Kabsch, W. | 登録日 | 2001-08-07 | 公開日 | 2002-01-01 | 最終更新日 | 2019-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C. Protein Sci., 11, 2002
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