5AFZ
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![BU of 5afz by Molmil](/molmil-images/mine/5afz) | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-propyl)-3-phenyl-propanamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, N-(BENZYLSULFONYL)-D-PHENYLALANYL-N-(4-CARBAMIMIDOYLBENZYL)GLYCINAMIDE, ... | 著者 | Ruehmann, E, Heine, A, Klebe, G. | 登録日 | 2015-01-27 | 公開日 | 2015-08-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
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4ZXY
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![BU of 4zxy by Molmil](/molmil-images/mine/4zxy) | FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione | 分子名称: | (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, CALCIUM ION, Coagulation factor VIIa heavy chain, ... | 著者 | Wei, A. | 登録日 | 2015-05-20 | 公開日 | 2015-07-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors. J.Med.Chem., 58, 2015
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5AFY
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![BU of 5afy by Molmil](/molmil-images/mine/5afy) | Thrombin in complex with 3-chloro-benzamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CHLORO-BENZAMIDE, DIMETHYL SULFOXIDE, ... | 著者 | Ruehmann, E, Heine, A, Klebe, G. | 登録日 | 2015-01-27 | 公開日 | 2015-08-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
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4Y8X
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![BU of 4y8x by Molmil](/molmil-images/mine/4y8x) | |
4YES
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![BU of 4yes by Molmil](/molmil-images/mine/4yes) | |
2HPP
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![BU of 2hpp by Molmil](/molmil-images/mine/2hpp) | |
4YZU
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![BU of 4yzu by Molmil](/molmil-images/mine/4yzu) | |
4ZHM
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![BU of 4zhm by Molmil](/molmil-images/mine/4zhm) | |
4ZKO
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![BU of 4zko by Molmil](/molmil-images/mine/4zko) | |
4ZH8
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![BU of 4zh8 by Molmil](/molmil-images/mine/4zh8) | Factor Xa complex with GTC000006 | 分子名称: | 6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X | 著者 | Convery, M.A. | 登録日 | 2015-04-24 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Factor Xa complex with GTC000006 To Be Published
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5AF9
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![BU of 5af9 by Molmil](/molmil-images/mine/5af9) | Thrombin in complex with 4-Methoxy-N-(2-pyridinyl)benzamide | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methoxy-N-(pyridin-2-yl)benzamide, ... | 著者 | Ruehmann, E, Heine, A, Klebe, G. | 登録日 | 2015-01-20 | 公開日 | 2015-08-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
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5A2M
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![BU of 5a2m by Molmil](/molmil-images/mine/5a2m) | Thrombin Inhibitor | 分子名称: | (2S)-1-[(2R)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-N-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Ruehmann, E, Heine, A, Klebe, G. | 登録日 | 2015-05-20 | 公開日 | 2016-06-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Thrombin Inhibition To be Published
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4Y8Z
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![BU of 4y8z by Molmil](/molmil-images/mine/4y8z) | |
4Y6D
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![BU of 4y6d by Molmil](/molmil-images/mine/4y6d) | Factor Xa complex with GTC000101 | 分子名称: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide, Coagulation factor X | 著者 | Convery, M.A. | 登録日 | 2015-02-12 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | TBA To Be Published
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2NU0
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![BU of 2nu0 by Molmil](/molmil-images/mine/2nu0) | Molecular structures of the complexes of SGPB with OMTKY3 aromatic P1 variants Trp18I, His18I, Phe18I, and Tyr18I | 分子名称: | Ovomucoid, Streptogrisin B, Protease B | 著者 | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Huang, K, Laskowski Jr, M, James, M.N.G. | 登録日 | 2006-11-08 | 公開日 | 2006-11-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Molecular structures of the complexes of SGPB with OMTKY3 aromatic P1 variants Trp18I, His18I, Phe18I, and Tyr18I To be Published
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4X1S
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![BU of 4x1s by Molmil](/molmil-images/mine/4x1s) | The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4 | 分子名称: | Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide | 著者 | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | 登録日 | 2014-11-25 | 公開日 | 2015-10-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
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2QAA
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![BU of 2qaa by Molmil](/molmil-images/mine/2qaa) | |
4X6P
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4X1R
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![BU of 4x1r by Molmil](/molmil-images/mine/4x1r) | The crystal structure of mupain-1-12 in complex with murinised human uPA at pH7.4 | 分子名称: | 1-phenylguanidine, Urokinase-type plasminogen activator, mupain-1-12 | 著者 | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | 登録日 | 2014-11-25 | 公開日 | 2015-03-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
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5AHG
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![BU of 5ahg by Molmil](/molmil-images/mine/5ahg) | Thrombin in complex with ((4-chlorophenyl)sulfamoyl))diemethylamine | 分子名称: | ((4-Chlorophenyl)sulfamoyl))dimethylamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Ruehmann, E, Heine, A, Klebe, G. | 登録日 | 2015-02-06 | 公開日 | 2015-08-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
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2ODQ
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![BU of 2odq by Molmil](/molmil-images/mine/2odq) | Complement component C2a, the catalytic fragment of C3- and C5-convertase of human complement | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Narayana, S.V.L, Krishnan, V. | 登録日 | 2006-12-25 | 公開日 | 2007-02-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The crystal structure of c2a, the catalytic fragment of classical pathway c3 and c5 convertase of human complement. J.Mol.Biol., 367, 2007
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2NU1
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![BU of 2nu1 by Molmil](/molmil-images/mine/2nu1) | Molecular structures of the complexes of SGPB with OMTKY3 aromatic P1 variants Trp18I, His18I, Phe18I and Tyr18I | 分子名称: | Ovomucoid, Streptogrisin B | 著者 | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Huang, K, Laskowski Jr, M, James, M.N.G. | 登録日 | 2006-11-08 | 公開日 | 2006-11-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular structures of the complexes of SGPB with OMTKY3 aromatic P1 variants Trp18I, His18I, Phe18I and Tyr18I To be Published
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4Y8Y
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![BU of 4y8y by Molmil](/molmil-images/mine/4y8y) | |
2OD3
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![BU of 2od3 by Molmil](/molmil-images/mine/2od3) | Human thrombin chimera with human residues 184a, 186, 186a, 186b, 186c and 222 replaced by murine thrombin equivalents. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ... | 著者 | Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E. | 登録日 | 2006-12-21 | 公開日 | 2007-04-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis of na+ activation mimicry in murine thrombin. J.Biol.Chem., 282, 2007
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2ODP
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![BU of 2odp by Molmil](/molmil-images/mine/2odp) | Complement component C2a, the catalytic fragment of C3- and C5-convertase of human complement | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Narayana, S.V.L, Krishnan, V. | 登録日 | 2006-12-25 | 公開日 | 2007-02-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The crystal structure of c2a, the catalytic fragment of classical pathway c3 and c5 convertase of human complement. J.Mol.Biol., 367, 2007
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