8BWW
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6T89
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![BU of 6t89 by Molmil](/molmil-images/mine/6t89) | Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | 登録日 | 2019-10-24 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
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1YPK
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![BU of 1ypk by Molmil](/molmil-images/mine/1ypk) | Thrombin Inhibitor Complex | 分子名称: | 10-mer peptide from Acety-Hirudin(54-65) sulfated, Prothrombin heavy chain, Prothrombin light chain, ... | 著者 | Czodrowski, P, Sotriffer, C, Fokkens, J, Heine, A, Klebe, G. | 登録日 | 2005-01-31 | 公開日 | 2006-01-17 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A Simple Protocol To Estimate Differences in Protein Binding Affinity for Enantiomers without Prior Resolution of Racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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2V3O
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![BU of 2v3o by Molmil](/molmil-images/mine/2v3o) | Thrombin with 3-cycle with F | 分子名称: | (2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID, CALCIUM ION, HIRUDIN IIA, ... | 著者 | Banner, D.W, Wessel, H.P. | 登録日 | 2007-06-19 | 公開日 | 2008-06-24 | 最終更新日 | 2013-10-23 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Fluorine in Pharmaceuticals: Looking Beyond Intuition. Science, 317, 2007
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2V3H
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![BU of 2v3h by Molmil](/molmil-images/mine/2v3h) | Thrombin with 3-cycle no F | 分子名称: | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYLPHENYL}ACETIC ACID, CALCIUM ION, HIRUDIN IIA, ... | 著者 | Banner, D.W, Obst, U. | 登録日 | 2007-06-18 | 公開日 | 2008-06-24 | 最終更新日 | 2013-10-23 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Fluorine in Pharmaceuticals: Looking Beyond Intuition. Science, 317, 2007
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1YPE
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![BU of 1ype by Molmil](/molmil-images/mine/1ype) | Thrombin Inhibitor Complex | 分子名称: | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE, GLYCEROL, Hirudin, ... | 著者 | Fokkens, J, Obst-Sander, U, Heine, A, Diederich, F, Klebe, G. | 登録日 | 2005-01-31 | 公開日 | 2006-01-17 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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1YPG
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![BU of 1ypg by Molmil](/molmil-images/mine/1ypg) | Thrombin Inhibitor Complex | 分子名称: | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE, Hirudin, Thrombin heavy chain, ... | 著者 | Fokkens, J, Obst-Sander, U, Heine, A, Diederich, F, Klebe, G. | 登録日 | 2005-01-31 | 公開日 | 2006-01-17 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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1YPJ
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![BU of 1ypj by Molmil](/molmil-images/mine/1ypj) | Thrombin Inhibitor Complex | 分子名称: | (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE, Hirudin, Thrombin heavy chain, ... | 著者 | Fokkens, J, Obst-Sander, U, Heine, A, Diederich, F, Klebe, G. | 登録日 | 2005-01-31 | 公開日 | 2006-01-17 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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4P10
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![BU of 4p10 by Molmil](/molmil-images/mine/4p10) | pro-carboxypeptidase U In Complex With 5-(3-aminopropyl)-1-propyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid | 分子名称: | (5R)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase B2, ... | 著者 | Hallberg, K, Sjogren, T. | 登録日 | 2014-02-21 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of conformationally restricted inhibitors of active thrombin activatable fibrinolysis inhibitor (TAFIa). Bioorg.Med.Chem., 22, 2014
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2JH5
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![BU of 2jh5 by Molmil](/molmil-images/mine/2jh5) | Human Thrombin Hirugen Inhibitor complex | 分子名称: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | 著者 | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | 登録日 | 2007-02-20 | 公開日 | 2007-05-08 | 最終更新日 | 2017-06-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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2JH0
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![BU of 2jh0 by Molmil](/molmil-images/mine/2jh0) | Human Thrombin Hirugen Inhibitor complex | 分子名称: | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | 著者 | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | 登録日 | 2007-02-19 | 公開日 | 2007-05-08 | 最終更新日 | 2013-08-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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2JH6
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![BU of 2jh6 by Molmil](/molmil-images/mine/2jh6) | Human Thrombin Hirugen Inhibitor complex | 分子名称: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | 著者 | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | 登録日 | 2007-02-20 | 公開日 | 2007-05-08 | 最終更新日 | 2013-08-07 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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2F3C
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![BU of 2f3c by Molmil](/molmil-images/mine/2f3c) | Crystal structure of infestin 1, a Kazal-type serineprotease inhibitor, in complex with trypsin | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | 著者 | Campos, I.T.N, Tanaka, A.S, Barbosa, J.A.R.G. | 登録日 | 2005-11-20 | 公開日 | 2006-12-05 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Kazal-type inhibitors infestins 1 and 4 differ in specificity but are similar in three-dimensional structure. Acta Crystallogr.,Sect.D, 68, 2012
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1QB1
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7A0E
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![BU of 7a0e by Molmil](/molmil-images/mine/7a0e) | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C6U/C14U) at 1.9 Angstroms Resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | 著者 | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | 登録日 | 2020-08-07 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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7A0D
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![BU of 7a0d by Molmil](/molmil-images/mine/7a0d) | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C16U/C28U) at 1.6 Angstroms Resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | 著者 | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | 登録日 | 2020-08-07 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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7A0F
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![BU of 7a0f by Molmil](/molmil-images/mine/7a0f) | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C22U/C39U) at 2.7 Angstroms Resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | 著者 | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | 登録日 | 2020-08-07 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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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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1HCG
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4UIB
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![BU of 4uib by Molmil](/molmil-images/mine/4uib) | Crystal structure of 3p in complex with tafCPB | 分子名称: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ... | 著者 | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | 登録日 | 2015-03-27 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58, 2015
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4UIA
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![BU of 4uia by Molmil](/molmil-images/mine/4uia) | Crystal structure of 3a in complex with tafCPB | 分子名称: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION | 著者 | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | 登録日 | 2015-03-27 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58, 2015
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2PIY
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![BU of 2piy by Molmil](/molmil-images/mine/2piy) | |