5HGG
| Crystal structure of uPA in complex with a camelid-derived antibody fragment | 分子名称: | (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Camelid Derived Antibody Fragment, ... | 著者 | Yung, K.W.Y, Kromann-Hansen, T, Andreasen, P.A, Ngo, J.C.K. | 登録日 | 2016-01-08 | 公開日 | 2016-06-01 | 最終更新日 | 2016-08-10 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior J.Biol.Chem., 291, 2016
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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 | 2023-11-08 | 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
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5JBB
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7KME
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5JB8
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5JBC
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5JBA
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7MEQ
| Crystal structure of human TMPRSS2 in complex with Nafamostat | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ... | 著者 | Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2021-04-07 | 公開日 | 2021-04-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation. Nat.Chem.Biol., 18, 2022
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7A0E
| The Crystal Structure of Bovine Thrombin in complex with Hirudin (C6U/C14U) at 1.9 Angstroms Resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | 著者 | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | 登録日 | 2020-08-07 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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7A0D
| The Crystal Structure of Bovine Thrombin in complex with Hirudin (C16U/C28U) at 1.6 Angstroms Resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | 著者 | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | 登録日 | 2020-08-07 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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7A0F
| The Crystal Structure of Bovine Thrombin in complex with Hirudin (C22U/C39U) at 2.7 Angstroms Resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | 著者 | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | 登録日 | 2020-08-07 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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7AC9
| Thrombin in complex with D-arginine (j77) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-ARGININE, DIMETHYL SULFOXIDE, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-09-10 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.393 Å) | 主引用文献 | Thrombin in complex with D-arginine (j77) To be published
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7AHU
| Anti-FX Fab of mim8 in complex with human FXa | 分子名称: | Anti-FX Fab of mim8 heavy chain, Anti-FX Fab of mim8 light chain, CALCIUM ION, ... | 著者 | Johansson, E. | 登録日 | 2020-09-25 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice. Blood, 138, 2021
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7AHV
| Anti-FIXa Fab of mim8 in complex with human FIXa | 分子名称: | CALCIUM ION, Coagulation factor IX, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ... | 著者 | Johansson, E. | 登録日 | 2020-09-25 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice. Blood, 138, 2021
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6ZUH
| Crystal Structure of Thrombin in complex with compound17 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin-2, ... | 著者 | Schafer, M. | 登録日 | 2020-07-22 | 公開日 | 2020-08-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 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
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6ZUW
| Crystal Structure of Thrombin in complex with compound40 | 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 (2 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
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7NXG
| Wax synthase 1 from Acinetobacter baylyi (AbWSD1) co-crystallized with myristic acid | 分子名称: | MYRISTIC ACID, O-acyltransferase WSD | 著者 | Vollheyde, K, Kuehnel, K, Lambrecht, F, Kawelke, S, Herrfurth, C, Feussner, I. | 登録日 | 2021-03-18 | 公開日 | 2022-03-30 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure of the Bifunctional Wax Synthase 1 from Acinetobacter baylyi Suggests a Conformational Change upon Substrate Binding and Formation of Additional Substrate Binding Sites Acs Catalysis, 12, 2022
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5YJP
| Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | 著者 | Sugawara, H. | 登録日 | 2017-10-11 | 公開日 | 2017-12-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
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5YC7
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5YJK
| Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative | 分子名称: | (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7 | 著者 | Sugawara, H. | 登録日 | 2017-10-11 | 公開日 | 2017-12-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors Bioorg. Med. Chem. Lett., 27, 2017
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5YJM
| Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | 著者 | Sugawara, H. | 登録日 | 2017-10-11 | 公開日 | 2017-12-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
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5ZFI
| Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide, Kallikrein-7 | 著者 | Sugawara, H. | 登録日 | 2018-03-06 | 公開日 | 2018-06-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones. Bioorg. Med. Chem., 26, 2018
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5Z1C
| The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 | 分子名称: | 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator | 著者 | Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D. | 登録日 | 2017-12-25 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 49, 2018
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5ZFH
| Mouse Kallikrein 7 | 分子名称: | Kallikrein-7 | 著者 | Sugawara, H. | 登録日 | 2018-03-06 | 公開日 | 2018-06-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones. Bioorg. Med. Chem., 26, 2018
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6AG7
| The crystal structure of uPA in complex with HMA-55F | 分子名称: | 3,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator | 著者 | Buckley, B, Jiang, L.G, Majed, H, Huang, M.D, Kelso, M, Ranson, M. | 登録日 | 2018-08-09 | 公開日 | 2019-08-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | uPA-HMA To Be Published
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