PDB: 1709 件ウェブページステータス検索Chemie searchBIRD

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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
4RKO	Crystal structure of thrombin mutant S195T bound with PPACK 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... 著者 Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E. 登録日 2014-10-13 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Why ser and not thr brokers catalysis in the trypsin fold. Biochemistry, 54, 2015
1VR1	Specifity for Plasminogen Activator Inhibitor-1 分子名称: Hirudin, thrombin 著者 Dekker, R.J, Eichinger, A, Stoop, A.A, Bode, W, Pannekoek, H, Horrevoets, A.J.G. 登録日 1998-12-11 公開日 1999-12-29 最終更新日 2022-12-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The variable region-1 from tissue-type plasminogen activator confers specificity for plasminogen activator inhibitor-1 to thrombin by facilitating catalysis: release of a kinetic block by a heterologous protein surface loop J.Mol.Biol., 293, 1999
3OSL	Structure of bovine thrombin-activatable fibrinolysis inhibitor in complex with tick carboxypeptidase inhibitor 分子名称: Carboxypeptidase B2, Carboxypeptidase inhibitor, ZINC ION 著者 Valnickova, Z, Sanglas, L, Arolas, J.L, Petersen, S.V, Schar, C, Otzen, D, Aviles, F.X, Gomis-Ruth, F.X, Enghild, J.J. 登録日 2010-09-09 公開日 2010-09-29 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (6 Å) 主引用文献 Flexibility of the Thrombin-activatable Fibrinolysis Inhibitor Pro-domain Enables Productive Binding of Protein Substrates. J.Biol.Chem., 285, 2010
8ASE	Crystal structure of Thrombin in complex with macrocycle T3 分子名称: (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. 登録日 2022-08-19 公開日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3 To Be Published
8ASF	Crystal structure of Thrombin in complex with macrocycle T1 分子名称: 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide, Thrombin heavy chain, Thrombin light chain 著者 Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. 登録日 2022-08-19 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3 To Be Published
2BXU	Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker 分子名称: 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN 著者 Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. 登録日 2005-07-27 公開日 2006-10-26 最終更新日 2016-12-21 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker Lett.Drug Des.Discovery, 3, 2006
2BVX	Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker 分子名称: ALPHA THROMBIN, HIRUDIN VARIANT-2, N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE 著者 Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. 登録日 2005-07-04 公開日 2006-10-25 最終更新日 2016-12-21 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker Lett.Drug Des.Discovery, 3, 2006
2BVR	Human thrombin complexed with fragment-based small molecules occupying the S1 pocket 分子名称: 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE, ALPHA THROMBIN, HIRUDIN VARIANT-2 著者 Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. 登録日 2005-07-04 公開日 2006-10-25 最終更新日 2016-12-21 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
2BVS	Human thrombin complexed with fragment-based small molecules occupying the S1 pocket 分子名称: ALPHA THROMBIN, HIRUDIN VARIANT-2, N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE 著者 Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. 登録日 2005-07-04 公開日 2006-10-25 最終更新日 2016-12-21 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
2BXT	Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker 分子名称: 6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN VARIANT-2 著者 Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. 登録日 2005-07-27 公開日 2006-10-26 最終更新日 2016-12-21 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker Lett.Drug Des.Discovery, 3, 2006
6FJT	4-chloro-benzamidine in complex with thrombin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranylbenzenecarboximidamide, DIMETHYL SULFOXIDE, ... 著者 Abazi, N, Heine, A, Klebe, G. 登録日 2018-01-23 公開日 2019-02-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 4-chloro-benzamidine in complex with thrombin To be published
1PPC	GEOMETRY OF BINDING OF THE BENZAMIDINE-AND ARGININE-BASED INHIBITORS N-ALPHA-(2-NAPHTHYL-SULPHONYL-GLYCYL)-DL-P-AMIDINOPHENYLALANYL-PIPERIDINE (NAPAP) AND (2R,4R)-4-METHYL-1-[N-ALPHA-(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINESULPHONYL)-L-ARGINYL]-2-PIPERIDINE CARBOXYLIC ACID (MQPA) TO HUMAN ALPHA-THROMBIN: X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE NAPAP-TRYPSIN COMPLEX AND MODELING OF NAPAP-THROMBIN AND MQPA-THROMBIN 分子名称: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, CALCIUM ION, TRYPSIN 著者 Bode, W, Turk, D. 登録日 1991-10-24 公開日 1994-01-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydr quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin.X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin. Eur.J.Biochem., 193, 1990
3BIV	Human thrombin-in complex with UB-THR11 分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, ... 著者 Gerlach, C, Smolinski, M, Steuber, H, Sotriffer, C.A, Heine, A, Hangauer, D.G, Klebe, G. 登録日 2007-12-01 公開日 2007-12-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons Angew.Chem.Int.Ed.Engl., 46, 2007
4DT7	Crystal structure of thrombin bound to the activation domain QEDQVDPRLIDGKMTRRGDS of protein C 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... 著者 Pozzi, N, Barranco-Medina, S, Chen, Z, Di Cera, E. 登録日 2012-02-20 公開日 2012-05-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Exposure of R169 controls protein C activation and autoactivation. Blood, 120, 2012
4E7N	Crystal Structure of AhV_TL-I, a Glycosylated Snake-venom Thrombin-like Enzyme from Agkistrodon halys 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Snake-venom Thrombin-like Enzyme 著者 Zeng, F, Li, X, Teng, M, Niu, L. 登録日 2012-03-18 公開日 2012-04-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal Structure of AhV_TL-I, a Glycosylated Snake-venom Thrombin-like Enzyme from Agkistrodon halys to be published
3BEF	Crystal structure of thrombin bound to the extracellular fragment of PAR1 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 1, Prothrombin 著者 Gandhi, P.S, Bah, A, Chen, Z, Mathews, F.S, Di Cera, E. 登録日 2007-11-17 公開日 2008-01-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural identification of the pathway of long-range communication in an allosteric enzyme. Proc.Natl.Acad.Sci.Usa, 105, 2008
6TFI	PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Hillig, R.C, Puetter, V. 登録日 2019-11-14 公開日 2020-11-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
1A2C	Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA 分子名称: Aeruginosin 298-A, Hirudin variant-2, SODIUM ION, ... 著者 Rios-Steiner, J.L, Murakami, M, Tulinsky, A. 登録日 1997-12-26 公開日 1998-07-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of Thrombin Inhibited by Aeruginosin 298-A from a Blue-Green Alga J.Am.Chem.Soc., 120, 1998
148D	THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE THROMBIN BINDING DNA APTAMER D(GGTTGGTGTGGTTGG) 分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3') 著者 Schultze, P, Macaya, R.F, Feigon, J. 登録日 1993-11-15 公開日 1994-04-30 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Three-dimensional solution structure of the thrombin-binding DNA aptamer d(GGTTGGTGTGGTTGG). J.Mol.Biol., 235, 1994
4BTT	factor Xa in complex with the dual thrombin-FXa inhibitor 31. 分子名称: CALCIUM ION, COAGULATION FACTOR X, COAGULATION FACTOR X LIGHT CHAIN, ... 著者 Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. 登録日 2013-06-19 公開日 2013-12-18 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
4BTU	Factor Xa in complex with the dual thrombin-FXa inhibitor 57. 分子名称: 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... 著者 Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. 登録日 2013-06-19 公開日 2013-12-18 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
1PPH	GEOMETRY OF BINDING OF THE NALPHA-TOSYLATED PIPERIDIDES OF M-AMIDINO-, P-AMIDINO-AND P-GUANIDINO PHENYLALANINE TO THROMBIN AND TRYPSIN: X-RAY CRYSTAL STRUCTURES OF THEIR TRYPSIN COMPLEXES AND MODELING OF THEIR THROMBIN COMPLEXES 分子名称: 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide, CALCIUM ION, SULFATE ION, ... 著者 Bode, W, Turk, D. 登録日 1991-10-24 公開日 1994-01-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Geometry of binding of the N alpha-tosylated piperidides of m-amidino-, p-amidino- and p-guanidino phenylalanine to thrombin and trypsin. X-ray crystal structures of their trypsin complexes and modeling of their thrombin complexes. FEBS Lett., 287, 1991
4BTI	factor Xa in complex with the dual thrombin-FXa inhibitor 58. 分子名称: 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... 著者 Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. 登録日 2013-06-18 公開日 2013-12-25 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
1HXE	SERINE PROTEASE 分子名称: HIRUDIN VARIANT-1, RUBIDIUM ION, THROMBIN 著者 Tulinsky, A, Zhang, E. 登録日 1995-12-07 公開日 1996-11-08 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The molecular environment of the Na+ binding site of thrombin. Biophys.Chem., 63, 1997

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