PDB: 1732 件ウェブページステータス検索Chemie searchBIRD

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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
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 2024-10-23 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
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 2024-10-16 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
3QTO	Thrombin Inhibition by Pyridin Derivatives 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-02-23 公開日 2012-02-29 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.52 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
1RD3	2.5A Structure of Anticoagulant Thrombin Variant E217K 分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PHOSPHATE ION, ... 著者 Carter, W.J, Myles, T, Leung, L.L, Huntington, J.A. 登録日 2003-11-05 公開日 2004-05-04 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal Structure of Anticoagulant Thrombin Variant E217K Provides Insights into Thrombin Allostery J.Biol.Chem., 279, 2004
3QX5	Thrombin Inhibition by Pyridin Derivatives 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-03-01 公開日 2012-03-07 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.35 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
3EE0	Crystal Structure of the W215A/E217A Mutant of Human Thrombin (space group P2(1)2(1)2(1)) 分子名称: Thrombin heavy chain, Thrombin light chain 著者 Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. 登録日 2008-09-03 公開日 2009-07-07 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Molecular Basis for the Kinetic Differences of the W215A/E217A Mutant of Human and Murine Thrombin To be Published
3QTV	Thrombin Inhibition by Pyridin Derivatives 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-02-23 公開日 2012-02-29 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.63 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
3QWC	Thrombin Inhibition by Pyridin Derivatives 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-02-28 公開日 2012-03-14 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.75 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
8UF7	Cryo-EM structure of POmAb, a Type-I anti-prothrombin antiphospholipid antibody, bound to kringle-1 of human prothrombin 分子名称: POmAb Heavy Chain, POmAb Light Chain, Prothrombin 著者 Kumar, S, Summers, B, Basore, K, Pozzi, N. 登録日 2023-10-03 公開日 2024-02-14 最終更新日 2024-10-23 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Cryo-EM structure and functional basis of prothrombin recognition by a type I antiprothrombin antiphospholipid antibody. Blood, 143, 2024
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
1ZRB	Thrombin in complex with an azafluorenyl inhibitor 23b 分子名称: 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ... 著者 Stauffer, K.J, Williams, P.D, Selnick, H.G, Nantermet, P.G, Newton, C.L, Homnick, C.F, Zrada, M.M, Lewis, S.D, Lucas, B.J, Krueger, J.A, Pietrak, B.L, Lyle, E.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Wallace, A.A, Sitko, G.R, Cook, J.J, Holahan, M.A, Stranieri-Michener, M, Leonard, Y.M, Lynch Jr, J.J, McMasters, D.R, Yan, Y. 登録日 2005-05-19 公開日 2005-06-07 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 9-hydroxyazafluorenes and their use in thrombin inhibitors J.Med.Chem., 48, 2005
4BAO	Thrombin in complex with inhibitor 分子名称: (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... 著者 Xue, Y, Musil, D. 登録日 2012-09-14 公開日 2013-01-16 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors. Biochemistry, 52, 2013
4BAM	Thrombin in complex with inhibitor 分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... 著者 Xue, Y, Musil, D. 登録日 2012-09-14 公開日 2013-01-16 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors. Biochemistry, 52, 2013
4BAH	Thrombin in complex with inhibitor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, SODIUM ION, ... 著者 Xue, Y, Musil, D. 登録日 2012-09-14 公開日 2013-01-16 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors. Biochemistry, 52, 2013
1AY6	THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF 分子名称: HIRUGEN, THROMBIN HEAVY CHAIN, THROMBIN LIGHT CHAIN, ... 著者 Ganesh, V, Maryanoff, B.E, Tulinsky, A. 登録日 1997-11-14 公開日 1998-03-18 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif Bioorg.Med.Chem.Lett., 6, 1996
2BDY	thrombin in complex with inhibitor 分子名称: Hirudin IIIB', N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE, SODIUM ION, ... 著者 Xue, Y. 登録日 2005-10-21 公開日 2006-10-24 最終更新日 2017-10-18 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure. Bioorg.Med.Chem.Lett., 16, 2006
4BAN	Thrombin in complex with inhibitor 分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... 著者 Xue, Y, Musil, D. 登録日 2012-09-14 公開日 2013-01-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors. Biochemistry, 52, 2013
4BAK	Thrombin in complex with inhibitor 分子名称: (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... 著者 Xue, Y, Musil, D. 登録日 2012-09-14 公開日 2013-01-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors. Biochemistry, 52, 2013
4BAQ	Thrombin in complex with inhibitor 分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... 著者 Xue, Y, Musil, D. 登録日 2012-09-14 公開日 2013-01-16 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors. Biochemistry, 52, 2013
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 2024-11-06 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Thrombin in Complex with Benzylamine 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
2PKS	Thrombin in complex with inhibitor 分子名称: 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE, Hirudin, SODIUM ION, ... 著者 Xue, Y. 登録日 2007-04-18 公開日 2008-04-22 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold. Org.Biomol.Chem., 5, 2007
1G30	THROMBIN INHIBITOR COMPLEX 分子名称: HIRUDIN IIB, PROTHROMBIN, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER 著者 Nar, H. 登録日 2000-10-23 公開日 2001-10-23 最終更新日 2018-10-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors. Structure, 9, 2001

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