2ANM
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![BU of 2anm by Molmil](/molmil-images/mine/2anm) | Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor | 分子名称: | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID, thrombin | 著者 | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2005-08-11 | 公開日 | 2006-06-13 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety Bioorg.Med.Chem.Lett., 16, 2006
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3JZ2
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![BU of 3jz2 by Molmil](/molmil-images/mine/3jz2) | Crystal structure of human thrombin mutant N143P in E* form | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Thrombin heavy chain, ... | 著者 | Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E. | 登録日 | 2009-09-22 | 公開日 | 2009-10-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Mutant N143P reveals how Na+ activates thrombin J.Biol.Chem., 284, 2009
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4H6T
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![BU of 4h6t by Molmil](/molmil-images/mine/4h6t) | Crystal structure of prethrombin-2 mutant E14eA/D14lA/E18A/S195A | 分子名称: | PHOSPHATE ION, Prothrombin | 著者 | Pozzi, N, Chen, Z, Zapata, F, Pelc, L.A, Di Cera, E. | 登録日 | 2012-09-19 | 公開日 | 2013-03-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
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3DT0
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1CGL
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![BU of 1cgl by Molmil](/molmil-images/mine/1cgl) | Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor | 分子名称: | CALCIUM ION, FIBROBLAST COLLAGENASE, N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide, ... | 著者 | Lovejoy, B, Cleasby, A, Hassell, A.M, Longley, K, Luther, M.A, Weigl, D, Mcgeehan, G, Mcelroy, A.B, Drewry, D, Lambert, M.H, Jordan, S.R. | 登録日 | 1993-11-17 | 公開日 | 1995-02-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor. Science, 263, 1994
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3GIS
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1HAI
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![BU of 1hai by Molmil](/molmil-images/mine/1hai) | THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | 著者 | Tulinsky, A, Vijayalakshmi, J. | 登録日 | 1994-06-27 | 公開日 | 1994-12-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin. Protein Sci., 3, 1994
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1LHF
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![BU of 1lhf by Molmil](/molmil-images/mine/1lhf) | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-HOMOLYS-OH | 分子名称: | AC-(D)PHE-PRO-BOROHOMOLYS-OH, ALPHA-THROMBIN, HIRUDIN | 著者 | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | 登録日 | 1994-12-27 | 公開日 | 1996-11-08 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
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2HWL
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![BU of 2hwl by Molmil](/molmil-images/mine/2hwl) | Crystal structure of thrombin in complex with fibrinogen gamma' peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen gamma' peptide, Prothrombin, ... | 著者 | Pineda, A.O, Chen, Z.W, Marino, F, Mathews, F.S, Mosesson, M.W, Di Cera, E. | 登録日 | 2006-08-01 | 公開日 | 2006-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of thrombin in complex with fibrinogen gamma' peptide. Biophys.Chem., 125, 2007
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2FES
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![BU of 2fes by Molmil](/molmil-images/mine/2fes) | Orally active thrombin inhibitors | 分子名称: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | 著者 | Hoeffken, H.W. | 登録日 | 2005-12-16 | 公開日 | 2006-05-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety. Bioorg.Med.Chem.Lett., 16, 2006
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1O0D
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![BU of 1o0d by Molmil](/molmil-images/mine/1o0d) | Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor | 分子名称: | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID, Decapeptide Hirudin Analogue, Thrombin heavy chain, ... | 著者 | Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2003-02-21 | 公開日 | 2003-10-14 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety Bioorg.Med.Chem.Lett., 13, 2003
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2A2X
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![BU of 2a2x by Molmil](/molmil-images/mine/2a2x) | Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12 | 分子名称: | N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE, Thrombin heavy chain, Thrombin light chain, ... | 著者 | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2005-06-23 | 公開日 | 2006-11-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety BIOORG.MED.CHEM.LETT., 16, 2006
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2FEQ
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![BU of 2feq by Molmil](/molmil-images/mine/2feq) | orally active thrombin inhibitors | 分子名称: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | 著者 | Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W. | 登録日 | 2005-12-16 | 公開日 | 2006-08-08 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety Bioorg.Med.Chem.Lett., 16, 2006
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2ANK
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![BU of 2ank by Molmil](/molmil-images/mine/2ank) | orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide | 分子名称: | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE, Thrombin heavy chain, Thrombin light chain, ... | 著者 | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2005-08-11 | 公開日 | 2006-11-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety BIOORG.MED.CHEM.LETT., 16, 2006
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3TU7
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![BU of 3tu7 by Molmil](/molmil-images/mine/3tu7) | |
3HAT
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![BU of 3hat by Molmil](/molmil-images/mine/3hat) | |
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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2HNT
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6EVV
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![BU of 6evv by Molmil](/molmil-images/mine/6evv) | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions. | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Troisi, R, Russo Krauss, I, Sica, F. | 登録日 | 2017-11-02 | 公開日 | 2018-10-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer. Nucleic Acids Res., 46, 2018
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3BF6
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![BU of 3bf6 by Molmil](/molmil-images/mine/3bf6) | Thrombin:suramin complex | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, PHE-PRO-ARG, Thrombin, ... | 著者 | Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. | 登録日 | 2007-11-20 | 公開日 | 2007-12-25 | 最終更新日 | 2015-07-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases. Biochim.Biophys.Acta, 1794, 2009
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7ZKO
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![BU of 7zko by Molmil](/molmil-images/mine/7zko) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form delta | 分子名称: | 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | 著者 | Troisi, R, Sica, F. | 登録日 | 2022-04-13 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers. Mol Ther Nucleic Acids, 30, 2022
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1TB6
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![BU of 1tb6 by Molmil](/molmil-images/mine/1tb6) | 2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Li, W, Johnson, D.J, Esmon, C.T, Huntington, J.A. | 登録日 | 2004-05-19 | 公開日 | 2004-08-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin. Nat.Struct.Mol.Biol., 11, 2004
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1FPH
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1DM4
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![BU of 1dm4 by Molmil](/molmil-images/mine/1dm4) | SER195ALA MUTANT OF HUMAN THROMBIN COMPLEXED WITH FIBRINOPEPTIDE A (7-16) | 分子名称: | PROTEIN (ALPHA THROMBIN:LIGHT CHAIN), PROTEIN (FIBRINOPEPTIDE), PROTEIN (MUTANT ALPHA THROMBIN:HEAVY CHAIN) | 著者 | Krishnan, R, Sadler, E.J, Tulinsky, A. | 登録日 | 1999-12-13 | 公開日 | 2000-01-19 | 最終更新日 | 2018-03-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the Ser195Ala mutant of human alpha--thrombin complexed with fibrinopeptide A(7--16): evidence for residual catalytic activity. Acta Crystallogr.,Sect.D, 56, 2000
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1RD3
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![BU of 1rd3 by Molmil](/molmil-images/mine/1rd3) | 2.5A Structure of Anticoagulant Thrombin Variant E217K | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PHOSPHATE ION, ... | 著者 | Carter, W.J, Myles, T, Leung, L.L, Huntington, J.A. | 登録日 | 2003-11-05 | 公開日 | 2004-05-04 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of Anticoagulant Thrombin Variant E217K Provides Insights into Thrombin Allostery J.Biol.Chem., 279, 2004
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