PDB: 544 件ウェブページステータス検索Chemie searchBIRD

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5GDS	HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM V 著者 De Simone, G, Lombardi, A, Galdiero, S, Nastri, F, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V. 登録日 1997-07-17 公開日 1998-01-21 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex. Protein Sci., 7, 1998
4THN	THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM IV 著者 Lombardi, A, De Simone, G, Nastri, F, Galdiero, S, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V. 登録日 1998-09-18 公開日 1999-06-15 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The crystal structure of alpha-thrombin-hirunorm IV complex reveals a novel specificity site recognition mode. Protein Sci., 8, 1999
4H6S	Crystal structure of thrombin mutant E14eA/D14lA/E18A/S195A 分子名称: Prothrombin, SODIUM ION 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 (2.19 Å) 主引用文献 Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
4RKJ	Crystal structure of thrombin mutant S195T (free form) 分子名称: GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ... 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 (1.7 Å) 主引用文献 Why ser and not thr brokers catalysis in the trypsin fold. Biochemistry, 54, 2015
5GIM	Crystal structure of thrombin-avathrin complex 分子名称: C-terminal peptide from Putative uncharacterized protein avahiru, N-terminal peptide from Putative uncharacterized protein avahiru, Thrombin light chain, ... 著者 Kini, R.M, Koh, C.Y, Iyer, J.K, Swaminathan, K. 登録日 2016-06-24 公開日 2017-05-03 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Avathrin: a novel thrombin inhibitor derived from a multicopy precursor in the salivary glands of the ixodid tick, Amblyomma variegatum. FASEB J., 31, 2017
4HFP	Structure of thrombin 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, Prothrombin, SODIUM ION 著者 Pozzi, N, Chen, Z, Zapata, F, Lin, W, Barranco-Medina, S, Pelc, L.A, Di Cera, E. 登録日 2012-10-05 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
4HZH	Structure of recombinant Gla-domainless prothrombin mutant S525A 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin 著者 Pozzi, N, Niu, W, Gohara, D.W, Chen, Z, Di Cera, E. 登録日 2012-11-15 公開日 2013-06-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Crystal structure of prothrombin reveals conformational flexibility and mechanism of activation. J.Biol.Chem., 288, 2013
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
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
4I7Y	Crystal Structure of Human Alpha Thrombin in Complex with a 27-mer Aptamer Bound to Exosite II 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, DNA (27-MER), ... 著者 Pica, A, Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. 登録日 2012-12-01 公開日 2013-10-16 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Duplex-quadruplex motifs in a peculiar structural organization cooperatively contribute to thrombin binding of a DNA aptamer. Acta Crystallogr.,Sect.D, 69, 2013
1C1U	RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 分子名称: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE, ACETYL HIRUDIN, ALPHA THROMBIN, ... 著者 Katz, B.A, Luong, C. 登録日 1999-07-21 公開日 2000-07-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
1C4Y	SELECTIVE NON-ELECTROPHILIC THROMBIN INHIBITORS 分子名称: 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID [4-(2-AMINO-3H-IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE, HIRUGEN, THROMBIN:LONG CHAIN, ... 著者 Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A. 登録日 1999-10-05 公開日 2000-10-09 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
1C5L	STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 分子名称: CALCIUM ION, Hirudin, SODIUM ION, ... 著者 Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. 登録日 1999-12-22 公開日 2000-12-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
1C5N	STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 分子名称: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, Hirudin, ... 著者 Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. 登録日 1999-12-22 公開日 2000-12-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
1C5O	STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 分子名称: BENZAMIDINE, Hirudin, SODIUM ION, ... 著者 Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. 登録日 1999-12-22 公開日 2000-12-22 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
1C4V	SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES. 分子名称: 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, HIRUGEN, SODIUM ION, ... 著者 Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A. 登録日 1999-09-25 公開日 2000-09-27 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 complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
1C4U	SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES. 分子名称: 2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, PROTEIN (HIRUGEN), SODIUM ION, ... 著者 Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A. 登録日 1999-09-25 公開日 2000-09-27 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 complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
5L6N	Disulfated madanin-thrombin complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, SODIUM ION, ... 著者 Ripoll-Rozada, J, Pereira, P.J.B. 登録日 2016-05-30 公開日 2017-03-29 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.627 Å) 主引用文献 Tyrosine sulfation modulates activity of tick-derived thrombin inhibitors. Nat Chem, 9, 2017
5LCE	Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Sandner, A, Heine, A, Klebe, G. 登録日 2016-06-21 公開日 2017-07-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
5LPD	Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(2-(aminomethyl)-5-chlorobenzyl) pyrrolidine-2-carboxamide 分子名称: (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Sandner, A, Heine, A, Klebe, G. 登録日 2016-08-12 公開日 2017-07-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
4MLF	Crystal structure for the complex of thrombin mutant D102N and hirudin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hirudin variant-1, ... 著者 Vogt, A.D, Pozzi, N, Chen, Z, Di Cera, E. 登録日 2013-09-06 公開日 2013-09-25 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Essential role of conformational selection in ligand binding. Biophys.Chem., 186C, 2014
5MLS	Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide 分子名称: D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Marca, A, Sandner, A, Heine, A, Klebe, G. 登録日 2016-12-07 公開日 2017-12-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Thrombin Mutante A190S in complex with (S)-1-((R)-2-amino-3,3-diphenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide to be published
5MJT	Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Hirudin variant-2, ... 著者 Marca, A, Sandner, A, Heine, A, Klebe, G. 登録日 2016-12-01 公開日 2017-12-20 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide to be published
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
5MM6	Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide 分子名称: D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Marca, A, Sandner, A, Heine, A, Klebe, G. 登録日 2016-12-08 公開日 2017-12-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide to be published

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