PDB: 4050 件ウェブページステータス検索Chemie searchBIRD

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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 2023-12-06 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
3QGJ	1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal 分子名称: 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ... 著者 Everill, P, Meinke, G, Bohm, A, Bachovchin, W. 登録日 2011-01-24 公開日 2012-02-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation To be Published
3RM0	Human Thrombin in complex with MI354 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 (1.34 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
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 2023-12-06 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
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
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 2023-12-06 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
3S0N	Crystal Structure of Human Chymase with Benzimidazolone Inhibitor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid, Chymase, ... 著者 Qian, K.C, Farrow, N.A, Padyana, A.K. 登録日 2011-05-13 公開日 2011-07-20 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Benzimidazolone as potent chymase inhibitor: Modulation of reactive metabolite formation in the hydrophobic (P(1)) region. Bioorg.Med.Chem.Lett., 21, 2011
3S69	Crystal structure of saxthrombin 分子名称: CALCIUM ION, Thrombin-like enzyme defibrase 著者 Huang, K, Zhao, W, Teng, M, Niu, L. 登録日 2011-05-25 公開日 2012-05-23 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Structure of saxthrombin, a thrombin-like enzyme from Gloydius saxatilis. Acta Crystallogr.,Sect.F, 67, 2011
3SI4	Human Thrombin In Complex With UBTHR104 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-06-17 公開日 2012-06-20 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.27 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
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
1ZJD	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Kunitz Protease Inhibitor Domain of Protease Nexin II 分子名称: Catalytic Domain of Coagulation Factor XI, Kunitz Protease Inhibitory Domain of Protease Nexin II 著者 Jin, L, Navaneetham, D, Pandey, P, Strickler, J.E, Babine, R.E, Walsh, P.N, Abdel-Meguid, S.S. 登録日 2005-04-28 公開日 2005-08-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural and Mutational Analyses of the Molecular Interactions between the Catalytic Domain of Factor XIa and the Kunitz Protease Inhibitor Domain of Protease Nexin 2 J.Biol.Chem., 280, 2005
2A2Q	Complex of Active-site Inhibited Human Coagulation Factor VIIa with Human Soluble Tissue Factor in the Presence of Ca2+, Mg2+, Na+, and Zn2+ 分子名称: CALCIUM ION, CHLORIDE ION, Coagulation factor VII, ... 著者 Bajaj, S.P, Bajaj, M, Schmidt, A.E, Padmanabhan, K. 登録日 2005-06-22 公開日 2006-07-04 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 High resolution structures of p-aminobenzamidine- and benzamidine-VIIa/soluble tissue factor: unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+, and Zn2+ sites in factor VIIa. J.Biol.Chem., 281, 2006
2A45	Crystal structure of the complex between thrombin and the central "E" region of fibrin 分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Fibrinogen alpha chain, Fibrinogen beta chain, ... 著者 Pechik, I, Madrazo, J, Gilliland, G.L, Medved, L. 登録日 2005-06-27 公開日 2006-05-02 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (3.65 Å) 主引用文献 Structural basis for sequential cleavage of fibrinopeptides upon fibrin assembly. Biochemistry, 45, 2006
1LHC	HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROARG-OH 分子名称: AC-(D)PHE-PRO-BOROARG-OH, ALPHA-THROMBIN, HIRUDIN 著者 Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. 登録日 1994-12-27 公開日 1996-11-08 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
1LHD	HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROLYS-OH 分子名称: AC-(D)PHE-PRO-BOROLYS-OH, ALPHA-THROMBIN, HIRUDIN 著者 Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. 登録日 1994-12-27 公開日 1996-11-08 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
1LHE	HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH 分子名称: AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH, ALPHA-THROMBIN, HIRUDIN 著者 Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. 登録日 1994-12-27 公開日 1996-11-08 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
1LHG	HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROORNITHINE-OH 分子名称: AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH, ALPHA-THROMBIN, HIRUDIN 著者 Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. 登録日 1994-12-27 公開日 1996-11-08 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
1LHF	HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-HOMOLYS-OH 分子名称: AC-(D)PHE-PRO-BOROHOMOLYS-OH, ALPHA-THROMBIN, HIRUDIN 著者 Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. 登録日 1994-12-27 公開日 1996-11-08 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
1LKA	Porcine Pancreatic Elastase/Ca-Complex 分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ... 著者 Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. 登録日 2002-04-24 公開日 2002-08-28 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
1LKB	Porcine Pancreatic Elastase/Na-Complex 分子名称: CHLORIDE ION, Elastase 1, SODIUM ION, ... 著者 Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. 登録日 2002-04-24 公開日 2002-08-28 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
1NRQ	CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES 分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), RECEPTOR BASED PEPTIDE D-FPR'S 著者 Tulinsky, A, Mathews, I.I. 登録日 1994-01-18 公開日 1994-05-31 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. Biochemistry, 33, 1994

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