6PXQ
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![BU of 6pxq by Molmil](/molmil-images/mine/6pxq) | Crystal structure of human thrombin mutant D194A | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain | 著者 | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | 登録日 | 2019-07-26 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Role of the I16-D194 ionic interaction in the trypsin fold. Sci Rep, 9, 2019
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6GN7
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![BU of 6gn7 by Molmil](/molmil-images/mine/6gn7) | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of sodium 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)-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 | 2018-05-30 | 公開日 | 2018-10-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 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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1TQ0
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![BU of 1tq0 by Molmil](/molmil-images/mine/1tq0) | Crystal structure of the potent anticoagulant thrombin mutant W215A/E217A in free form | 分子名称: | Prothrombin | 著者 | Pineda, A.O, Chen, Z.-W, Caccia, S, Savvides, S.N, Waksman, G, Mathews, F.S, Di Cera, E. | 登録日 | 2004-06-16 | 公開日 | 2004-08-03 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The anticoagulant thrombin mutant W215A/E217A has a collapsed primary specificity pocket J.Biol.Chem., 279, 2004
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1HAP
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![BU of 1hap by Molmil](/molmil-images/mine/1hap) | COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON X-RAY MODEL OF DNA) | 分子名称: | 5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3', D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ... | 著者 | Padmanabhan, K, Tulinsky, A. | 登録日 | 1995-10-03 | 公開日 | 1996-04-03 | 最終更新日 | 2013-02-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | An ambiguous structure of a DNA 15-mer thrombin complex. Acta Crystallogr.,Sect.D, 52, 1996
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1UVS
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![BU of 1uvs by Molmil](/molmil-images/mine/1uvs) | BOVINE THROMBIN--BM51.1011 COMPLEX | 分子名称: | THROMBIN, [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | 著者 | Engh, R.A, Huber, R. | 登録日 | 1996-10-16 | 公開日 | 1997-11-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. Structure, 4, 1996
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1HAO
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![BU of 1hao by Molmil](/molmil-images/mine/1hao) | COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA) | 分子名称: | ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | 著者 | Tulinsky, A, Padmanabhan, K. | 登録日 | 1995-10-03 | 公開日 | 1996-04-03 | 最終更新日 | 2013-02-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | An ambiguous structure of a DNA 15-mer thrombin complex. Acta Crystallogr.,Sect.D, 52, 1996
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4AYV
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![BU of 4ayv by Molmil](/molmil-images/mine/4ayv) | Human thrombin - inhibitor complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', SODIUM ION, ... | 著者 | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | 登録日 | 2012-06-22 | 公開日 | 2012-08-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
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1MH0
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![BU of 1mh0 by Molmil](/molmil-images/mine/1mh0) | Crystal structure of the anticoagulant slow form of thrombin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | 著者 | Pineda, A.O, Savvides, S, Waksman, G, Di Cera, E. | 登録日 | 2002-08-18 | 公開日 | 2002-11-08 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of the anticoagulant slow form of thrombin J.Biol.Chem., 277, 2002
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4NZQ
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![BU of 4nzq by Molmil](/molmil-images/mine/4nzq) | Crystal structure of Ca2+-free prothrombin deletion mutant residues 146-167 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | 著者 | Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E. | 登録日 | 2013-12-12 | 公開日 | 2014-05-21 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.807 Å) | 主引用文献 | The linker connecting the two kringles plays a key role in prothrombin activation. Proc.Natl.Acad.Sci.USA, 111, 2014
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6TKJ
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![BU of 6tkj by Molmil](/molmil-images/mine/6tkj) | Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 7keV | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain, ... | 著者 | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | 登録日 | 2019-11-28 | 公開日 | 2020-11-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
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1HUT
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![BU of 1hut by Molmil](/molmil-images/mine/1hut) | THE STRUCTURE OF ALPHA-THROMBIN INHIBITED BY A 15-MER SINGLE-STRANDED DNA APTAMER | 分子名称: | ALPHA-Thrombin heavy chain, ALPHA-Thrombin light chain, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ... | 著者 | Padmanabhan, K, Padmanabhan, K.P, Ferrara, J.D, Sadler, J.E, Tulinsky, A. | 登録日 | 1993-05-27 | 公開日 | 1994-06-22 | 最終更新日 | 2013-02-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The structure of alpha-thrombin inhibited by a 15-mer single-stranded DNA aptamer. J.Biol.Chem., 268, 1993
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6CYM
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1D3Q
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![BU of 1d3q by Molmil](/molmil-images/mine/1d3q) | CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE, ALPHA-THROMBIN, ... | 著者 | Chirgadze, N.Y. | 登録日 | 1999-09-30 | 公開日 | 2000-10-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors. Protein Sci., 9, 2000
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5EW1
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![BU of 5ew1 by Molmil](/molmil-images/mine/5ew1) | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3 | 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, HD1-deltaT3, ... | 著者 | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | 登録日 | 2015-11-20 | 公開日 | 2016-11-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers. Nucleic Acids Res., 45, 2017
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5CMX
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![BU of 5cmx by Molmil](/molmil-images/mine/5cmx) | X-ray structure of the complex between human alpha thrombin and a duplex/quadruplex 31-mer DNA aptamer | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, RE31, ... | 著者 | Russo Krauss, I, Pica, A, Napolitano, V, Sica, F. | 登録日 | 2015-07-17 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Different duplex/quadruplex junctions determine the properties of anti-thrombin aptamers with mixed folding. Nucleic Acids Res., 44, 2016
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1HLT
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![BU of 1hlt by Molmil](/molmil-images/mine/1hlt) | |
1AWH
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![BU of 1awh by Molmil](/molmil-images/mine/1awh) | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | 分子名称: | 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID, ALPHA THROMBIN | 著者 | Jhoti, H, Cleasby, A, Wonacott, A. | 登録日 | 1997-10-02 | 公開日 | 1998-10-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies. Biochemistry, 37, 1998
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4AUO
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![BU of 4auo by Molmil](/molmil-images/mine/4auo) | Crystal structure of MMP-1(E200A) in complex with a triple-helical collagen peptide | 分子名称: | CALCIUM ION, INTERSTITIAL COLLAGENASE, TRIPLE-HELICAL COLLAGEN PEPTIDE, ... | 著者 | Manka, S.W, Carafoli, F, Visse, R, Bihan, D, Raynal, N, Farndale, R.W, Murphy, G, Enghild, J.J, Hohenester, E, Nagase, H. | 登録日 | 2012-05-18 | 公開日 | 2012-07-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Insights Into Triple-Helical Collagen Cleavage by Matrix Metalloproteinase 1 Proc.Natl.Acad.Sci.USA, 109, 2012
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1NRP
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![BU of 1nrp by Molmil](/molmil-images/mine/1nrp) | |
1DWD
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![BU of 1dwd by Molmil](/molmil-images/mine/1dwd) | |
1DWC
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![BU of 1dwc by Molmil](/molmil-images/mine/1dwc) | |
1DWE
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4RN6
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![BU of 4rn6 by Molmil](/molmil-images/mine/4rn6) | Structure of prethrombin-2 mutant s195a bound to the active site inhibitor argatroban | 分子名称: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid, Thrombin heavy chain | 著者 | Pozzi, N, Chen, Z, Zapata, F, Niu, W, Barranco-Medina, S, Pelc, L.A, Di Cera, E. | 登録日 | 2014-10-23 | 公開日 | 2014-11-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
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1D3T
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7ZKN
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![BU of 7zkn by Molmil](/molmil-images/mine/7zkn) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form gamma | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | 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 (3.03 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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