1XXF
| Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP) | 分子名称: | Coagulation factor XI, Ecotin, SODIUM ION | 著者 | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | 登録日 | 2004-11-04 | 公開日 | 2004-11-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions J.Biol.Chem., 280, 2005
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4AG2
| Human Chymase - Fynomer Complex | 分子名称: | (2S)-2-hydroxybutanedioic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHYMASE, ... | 著者 | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | 登録日 | 2012-01-23 | 公開日 | 2012-07-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain. Mabs, 4, 2012
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4AG1
| Human Chymase - Fynomer Complex | 分子名称: | CHYMASE, FYNOMER, SULFATE ION | 著者 | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | 登録日 | 2012-01-23 | 公開日 | 2012-07-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain. Mabs, 4, 2012
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4CH2
| Low-salt crystal structure of a thrombin-GpIbalpha peptide complex | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ... | 著者 | Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A. | 登録日 | 2013-11-28 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Gpibalpha Interacts Exclusively with Exosite II of Thrombin J.Mol.Biol., 426, 2014
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1XKA
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4CRE
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | 分子名称: | 6-chloro-4-methyl-1H-quinolin-2-one, COAGULATION FACTOR XI, SULFATE ION | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | 登録日 | 2014-02-26 | 公開日 | 2015-02-11 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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4CR5
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | 分子名称: | 6-chloroquinolin-2(1H)-one, COAGULATION FACTOR XIA, SULFATE ION | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | 登録日 | 2014-02-25 | 公開日 | 2015-02-11 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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4CR9
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | 分子名称: | 4-methylquinoline-2,6-diamine, COAGULATION FACTOR XI, SULFATE ION | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | 登録日 | 2014-02-26 | 公開日 | 2015-02-11 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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4CRC
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | 分子名称: | (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, COAGULATION FACTOR XI, SULFATE ION | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | 登録日 | 2014-02-26 | 公開日 | 2015-02-11 | 最終更新日 | 2015-08-19 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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4CRA
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | 分子名称: | COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ... | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | 登録日 | 2014-02-26 | 公開日 | 2015-02-11 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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4CRB
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | 分子名称: | COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ... | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | 登録日 | 2014-02-26 | 公開日 | 2015-02-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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4CRD
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | 分子名称: | COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | 登録日 | 2014-02-26 | 公開日 | 2015-02-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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4D76
| Human FXIa in complex with small molecule inhibitors. | 分子名称: | COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ... | 著者 | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | 登録日 | 2014-11-20 | 公開日 | 2016-01-20 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
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1XX9
| Crystal Structure of the FXIa Catalytic Domain in Complex with EcotinM84R | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, Ecotin | 著者 | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | 登録日 | 2004-11-04 | 公開日 | 2004-11-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions J.Biol.Chem., 280, 2005
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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 | 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
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4D7F
| Human FXIa in complex with small molecule inhibitors. | 分子名称: | COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ... | 著者 | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | 登録日 | 2014-11-24 | 公開日 | 2016-01-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
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4D7G
| Human FXIa in complex with small molecule inhibitors. | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COAGULATION FACTOR XIA, GLYCEROL, ... | 著者 | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | 登録日 | 2014-11-24 | 公開日 | 2016-01-20 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
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4D8N
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1XKB
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4CRF
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | 分子名称: | CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ... | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | 登録日 | 2014-02-26 | 公開日 | 2015-02-11 | 最終更新日 | 2022-05-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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4CH8
| High-salt crystal structure of a thrombin-GpIbalpha peptide complex | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ... | 著者 | Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A. | 登録日 | 2013-11-29 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Gpibalpha Interacts Exclusively with Exosite II of Thrombin J.Mol.Biol., 426, 2014
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1XXD
| Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin | 分子名称: | Coagulation factor XI, Ecotin | 著者 | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | 登録日 | 2004-11-04 | 公開日 | 2004-11-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions J.Biol.Chem., 280, 2005
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4BOH
| Madanins (MEROPS I53) are cleaved by thrombin and factor Xa | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, SULFATE ION, ... | 著者 | Figueiredo, A.C, deSanctis, D, Pereira, P.J.B. | 登録日 | 2013-05-20 | 公開日 | 2013-09-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.595 Å) | 主引用文献 | The Tick-Derived Anticoagulant Madanin is Processed by Thrombin and Factor Xa. Plos One, 8, 2013
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1UVT
| BOVINE THROMBIN--BM14.1248 COMPLEX | 分子名称: | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE, THROMBIN | 著者 | Engh, R.A, Huber, R. | 登録日 | 1996-10-16 | 公開日 | 1997-11-19 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. Structure, 4, 1996
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1UVS
| BOVINE THROMBIN--BM51.1011 COMPLEX | 分子名称: | THROMBIN, [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | 著者 | Engh, R.A, Huber, R. | 登録日 | 1996-10-16 | 公開日 | 1997-11-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. Structure, 4, 1996
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