3BF6
 
 | | Thrombin:suramin complex | | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, PHE-PRO-ARG, Thrombin, ... | | 著者 | Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. | | 登録日 | 2007-11-20 | | 公開日 | 2007-12-25 | | 最終更新日 | 2015-07-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases.
Biochim.Biophys.Acta, 1794, 2009
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2P95
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2P3T
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3BEI
 | | Crystal structure of the slow form of thrombin in a self_inhibited conformation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin | | 著者 | Gandhi, P.S, Chen, Z, Mathews, F.S, Di Cera, E. | | 登録日 | 2007-11-19 | | 公開日 | 2007-12-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural identification of the pathway of long-range communication in an allosteric enzyme.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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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 | 2017-10-18 | | 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
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2PGQ
 | | Human thrombin mutant C191A-C220A in complex with the inhibitor PPACK | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ... | | 著者 | Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E. | | 登録日 | 2007-04-10 | | 公開日 | 2007-07-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Important role of the cys-191 cys-220 disulfide bond in thrombin function and allostery
J.Biol.Chem., 282, 2007
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3B23
 | | Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors | | 分子名称: | Thrombin heavy chain, Thrombin light chain, Variegin | | 著者 | Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M. | | 登録日 | 2011-07-20 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
Plos One, 6, 2011
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8EOK
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8FGX
 | | Cryo-EM structure of the STAR-0215 Fab in complex with active human plasma kallikrein | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein light chain, STAR-0215 Heavy chain, ... | | 著者 | Fuller, J.R, Biris, N, Bista, P. | | 登録日 | 2022-12-13 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | | 主引用文献 | STAR-0215 is a Novel, Long-Acting Monoclonal Antibody Inhibitor of Plasma Kallikrein for the Potential Treatment of Hereditary Angioedema.
J.Pharmacol.Exp.Ther., 387, 2023
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8ENU
 | | Structure of the C3bB proconvertase in complex with lufaxin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | | 著者 | Andersen, J.F, Lei, H. | | 登録日 | 2022-09-30 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism.
Blood, 141, 2023
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6YSJ
 | | Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ... | | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A. | | 登録日 | 2020-04-22 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
To be published
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6ZGO
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6Z48
 | | Crystal structure of Thrombin in complex with macrocycle X1vE | | 分子名称: | 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ... | | 著者 | Angelini, A, Habeshian, S, Heinis, C, Cendron, L. | | 登録日 | 2020-05-23 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
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6ZUG
 | | Crystal Structure of Thrombin in complex with compound10 | | 分子名称: | 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 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 (1.8 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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6ZOV
 | | ENTEROPEPTIDASE IN COMPLEX WITH COMPOUND 6 | | 分子名称: | 1,2-ETHANEDIOL, 4-carbamimidamidobenzoic acid, Enteropeptidase, ... | | 著者 | Cummings, M.D. | | 登録日 | 2020-07-07 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Targeting Enteropeptidase with Reversible Covalent Inhibitors To Achieve Metabolic Benefits.
J.Pharmacol.Exp.Ther., 375, 2020
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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
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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
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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
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6ZV8
 | | Crystal Structure of Thrombin in complex with compound51 | | 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 (1.7 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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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
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5Y9L
 | | Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one | | 分子名称: | 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7 | | 著者 | Sugawara, H. | | 登録日 | 2017-08-25 | | 公開日 | 2017-11-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.15 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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5YC6
 | | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | | 分子名称: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | | 著者 | Jiang, L.G, Zhang, X, Huang, M.D. | | 登録日 | 2017-09-06 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 8, 2018
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7SR9
 | | Human alpha-thrombin with 180- and 220- loops replaced with homologous loops from protein C | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | 著者 | Di Cera, E, Ruben, E.A, Chen, Z. | | 登録日 | 2021-11-08 | | 公開日 | 2021-12-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The active site region plays a critical role in Na + binding to thrombin.
J.Biol.Chem., 298, 2022
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4LZI
 | | Characterization of Solanum tuberosum Multicystatin and Significance of Core Domains | | 分子名称: | Multicystatin | | 著者 | Nissen, M.S, Kumar, G.N, Green, A.R, Knowles, N.R, Kang, C. | | 登録日 | 2013-07-31 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Characterization of Solanum tuberosum Multicystatin and the Significance of Core Domains.
Plant Cell, 25, 2013
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6EO8
 | | Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | | 分子名称: | DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... | | 著者 | Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. | | 登録日 | 2017-10-09 | | 公開日 | 2017-12-13 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
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