3RM2
| Human Thrombin in complex with MI003 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-20 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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1GHV
| A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | 分子名称: | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | 登録日 | 2001-01-22 | 公開日 | 2002-01-22 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J.Mol.Biol., 307, 2001
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1AE8
| HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP | 分子名称: | 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ... | 著者 | De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P. | 登録日 | 1997-03-06 | 公開日 | 1997-12-03 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study. J.Mol.Biol., 269, 1997
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3RML
| Human Thrombin in complex with MI331 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-21 | 公開日 | 2012-04-25 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RLY
| Human Thrombin in complex with MI329 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-20 | 公開日 | 2012-04-25 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RMN
| Human Thrombin in complex with MI341 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-21 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3SQE
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1HAH
| 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 (2.3 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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3R3G
| Structure of human thrombin with residues 145-150 of murine thrombin. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin Heavy Chain, ... | 著者 | Pozzi, N, Chen, R, Chen, Z, Bah, A, Di Cera, E. | 登録日 | 2011-03-15 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Rigidification of the autolysis loop enhances Na(+) binding to thrombin. Biophys.Chem., 159, 2011
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1HAG
| 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, HIRUGEN, PRETHROMBIN 2 | 著者 | Tulinsky, A, Vijayalakshmi, J. | 登録日 | 1994-06-27 | 公開日 | 1994-12-20 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2 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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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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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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1HBT
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3RLW
| Human Thrombin in complex with MI328 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-20 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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1AI8
| HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG | 分子名称: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIB, ... | 著者 | Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J. | 登録日 | 1997-05-01 | 公開日 | 1997-10-15 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships. Protein Sci., 1, 1992
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1HGT
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3SV2
| Human Thrombin In Complex With UBTHR105 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide, GLYCEROL, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-07-12 | 公開日 | 2012-06-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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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 | 2024-10-16 | 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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1H8D
| X-ray structure of the human alpha-thrombin complex with a tripeptide phosphonate inhibitor. | 分子名称: | HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide, THROMBIN | 著者 | Skordalakes, E, Dodson, G.G, Green, D, Deadman, J. | 登録日 | 2001-02-01 | 公開日 | 2001-02-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate J.Mol.Biol., 311, 2001
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3S7K
| Structure of thrombin mutant Y225P in the E form | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, POTASSIUM ION, Prothrombin | 著者 | Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. | 登録日 | 2011-05-26 | 公開日 | 2011-07-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease. Biochemistry, 50, 2011
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3SHC
| Human Thrombin In Complex With UBTHR101 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-06-16 | 公開日 | 2012-06-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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1B5G
| HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | 分子名称: | ALPHA-THROMBIN, HIRUGEN, SODIUM ION, ... | 著者 | St Charles, R, Tulinsky, A, Kahn, M. | 登録日 | 1998-03-05 | 公開日 | 1998-05-27 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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1BA8
| THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ... | 著者 | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | 登録日 | 1998-04-23 | 公開日 | 1999-04-27 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry, 37, 1998
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1AWF
| NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | 分子名称: | ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER | 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 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.2 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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1GJ5
| SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | 分子名称: | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | 著者 | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | 登録日 | 2001-04-27 | 公開日 | 2002-04-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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