PDB: 539 件ウェブページステータス検索Chemie searchBIRD

---

6ZUU	Crystal structure of Thrombin in complex with compound30 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... 著者 Schafer, M. 登録日 2020-07-23 公開日 2020-10-07 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.94 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
6ZV7	Crystal Structure of Thrombin in complex with compound42b 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... 著者 Schafer, M. 登録日 2020-07-24 公開日 2020-08-26 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.94 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
6ZUN	Crystal Structure of Thrombin in complex with compound20a 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... 著者 Schafer, M. 登録日 2020-07-23 公開日 2020-08-26 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.793 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
6ZUX	Crystal Structure of Thrombin in complex with compound42a 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... 著者 Schafer, M. 登録日 2020-07-23 公開日 2020-08-26 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.94 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
6TDT	Thrombin in Complex with a D-DiPhe-Pro-p-pyridine derivative 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Ngo, K, Heine, A, Klebe, G. 登録日 2019-11-10 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
6TKL	Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... 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 (1.3 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
6T89	Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... 著者 Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. 登録日 2019-10-24 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
6T56	Thrombin in Complex with Benzylamine 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZYLAMINE, GLYCEROL, ... 著者 Ngo, K, Abazi, N, Heine, A, Klebe, G. 登録日 2019-10-15 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Thrombin in Complex with Benzylamine To Be Published
6TKI	Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 12.7keV 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy 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 (1.8 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
6T8A	Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... 著者 Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. 登録日 2019-10-24 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) to be published
6TKG	Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... 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 (1.35 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
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
6T57	Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Ngo, K, Abazi, N, Heine, A, Klebe, G. 登録日 2019-10-15 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative To Be Published
6T53	Thrombin in Complex with a D-Phe-Pro-p-benzylamine derivative 分子名称: (2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Ngo, K, Abazi, N, Heine, A, Klebe, G. 登録日 2019-10-15 公開日 2020-11-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Thrombin in Complex with a D-Phe-Pro-p-benzylamine derivative To Be Published
6T52	Thrombin in Complex with a D-Phe-Pro-imidazole derivative 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Ngo, K, Abazi, N, Heine, A, Klebe, G. 登録日 2019-10-15 公開日 2020-11-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Thrombin in Complex with a D-Phe-Pro-imidazole derivative To Be Published
6TKH	Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 7keV 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ... 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 (1.9 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
6T3Q	Thrombin in Complex with a D-Phe-Pro-2-aminopyridine derivative 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... 著者 Ngo, K, Collins, C, Heine, A, Klebe, G. 登録日 2019-10-11 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
6T3M	Thrombin in Complex with a D-Phe-Pro-p-phenol derivative 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... 著者 Ngo, K, Collins, C, Heine, A, Klebe, G. 登録日 2019-10-11 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Thrombin in Complex with a D-Phe-Pro-p-phenol derivative To Be Published
6T4A	Thrombin in Complex with a D-Phe-Pro-p-aminopyridine derivative 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... 著者 Ngo, K, Collins, C, Heine, A, Klebe, G. 登録日 2019-10-13 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
6T54	Thrombin in Complex with a D-Phe-Pro-2-bromothiophene Derivative 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Ngo, K, Abazi, N, Heine, A, Klebe, G. 登録日 2019-10-15 公開日 2020-11-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Thrombin in Complex with a D-Phe-Pro-2-bromothiophene Derivative To Be Published
6T55	Thrombin in Complex with Methylbenzylamine 分子名称: 1-(4-methylphenyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... 著者 Ngo, K, Abazi, N, Heine, A, Klebe, G. 登録日 2019-10-15 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Thrombin in Complex with Methylbenzylamine To Be Published
6T7H	Crystal structure of Thrombin in complex with macrocycle N14-PR4-A 分子名称: (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Angelini, A, Kumar, M.G, Heinis, C, Cendron, L. 登録日 2019-10-22 公開日 2020-09-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Macrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries. Chem Sci, 11, 2020
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
1HRT	THE STRUCTURE OF A COMPLEX OF BOVINE ALPHA-THROMBIN AND RECOMBINANT HIRUDIN AT 2.8 ANGSTROMS RESOLUTION 分子名称: HIRUDIN, THROMBIN (LARGE SUBUNIT), THROMBIN (SMALL SUBUNIT) 著者 Vitali, J, Edwards, B.F.P. 登録日 1993-02-25 公開日 1994-01-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The structure of a complex of bovine alpha-thrombin and recombinant hirudin at 2.8-A resolution. J.Biol.Chem., 267, 1992
1HXF	HUMAN THROMBIN COMPLEX WITH HIRUDIN VARIANT 分子名称: HIRUDIN VARIANT, THROMBIN 著者 Tulinsky, A, Zhang, E. 登録日 1996-09-09 公開日 1997-01-27 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

<3456789101112131415161718>