2BOH
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![BU of 2boh by Molmil](/molmil-images/mine/2boh) | Crystal structure of factor Xa in complex with compound "1" | 分子名称: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR XA | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-11 | 公開日 | 2006-04-05 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BQ7
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![BU of 2bq7 by Molmil](/molmil-images/mine/2bq7) | Crystal structure of factor Xa in complex with 43 | 分子名称: | CALCIUM ION, COAGULATION FACTOR X, FACTOR XA, ... | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-27 | 公開日 | 2006-04-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BMG
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![BU of 2bmg by Molmil](/molmil-images/mine/2bmg) | Crystal structure of factor Xa in complex with 50 | 分子名称: | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-4-YL)METHYL]BENZAMIDE, CALCIUM ION, COAGULATION FACTOR X | 著者 | Schreuder, H, Matter, H, Will, D.W, Nazare, M, Laux, V, Wehner, V, Loenze, P, Liesum, A. | 登録日 | 2005-03-14 | 公開日 | 2006-03-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Requirements for Factor Xa Inhibition by 3-Oxybenzamides with Neutral P1 Substituents: Combining X-Ray Crystallography, 3D-Qsar and Tailored Scoring Functions J.Med.Chem., 48, 2005
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2H9E
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![BU of 2h9e by Molmil](/molmil-images/mine/2h9e) | Crystal Structure of FXa/selectide/NAPC2 ternary complex | 分子名称: | ACETATE ION, Anti-coagulant protein C2, Coagulation factor X heavy chain, ... | 著者 | Murakami, M.T, Geiger, G, Tulinsky, A, Arni, R.K. | 登録日 | 2006-06-09 | 公開日 | 2007-02-13 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Intermolecular Interactions and Characterization of the Novel Factor Xa Exosite Involved in Macromolecular Recognition and Inhibition: Crystal Structure of Human Gla-domainless Factor Xa Complexed with the Anticoagulant Protein NAPc2 from the Hematophagous Nematode Ancylostoma caninum. J.Mol.Biol., 366, 2007
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2QXH
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![BU of 2qxh by Molmil](/molmil-images/mine/2qxh) | Crystal Structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone | 分子名称: | Kallikrein-7, N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide | 著者 | Debela, M, Hess, P, Magdolen, V, Schechter, N.M, Bode, W, Goettig, P. | 登録日 | 2007-08-11 | 公開日 | 2008-01-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R2M
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![BU of 2r2m by Molmil](/molmil-images/mine/2r2m) | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors | 分子名称: | Hirudin-3A, N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | 著者 | Spurlino, J. | 登録日 | 2007-08-27 | 公開日 | 2008-08-26 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors Bioorg.Med.Chem.Lett., 17, 2007
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2FZZ
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![BU of 2fzz by Molmil](/molmil-images/mine/2fzz) | Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-hydroxy-1-pyrrolidinyl)methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one | 分子名称: | 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE, Coagulation factor X | 著者 | Alexander, R.S. | 登録日 | 2006-02-10 | 公開日 | 2006-06-27 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg.Med.Chem.Lett., 16, 2006
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2RA0
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![BU of 2ra0 by Molmil](/molmil-images/mine/2ra0) | X-ray Structure of FXa in complex with 7-fluoroindazole | 分子名称: | 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide, Coagulation factor X | 著者 | Abad, M.C. | 登録日 | 2007-09-14 | 公開日 | 2008-01-29 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 7-fluoroindazoles as potent and selective inhibitors of factor xa. J.Med.Chem., 51, 2008
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2BQ6
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![BU of 2bq6 by Molmil](/molmil-images/mine/2bq6) | Crystal structure of factor Xa in complex with 21 | 分子名称: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-27 | 公開日 | 2006-04-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2PGB
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![BU of 2pgb by Molmil](/molmil-images/mine/2pgb) | Inhibitor-free human thrombin mutant C191A-C220A | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, SULFATE ION | 著者 | Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E. | 登録日 | 2007-04-09 | 公開日 | 2007-07-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.54 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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2PHB
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![BU of 2phb by Molmil](/molmil-images/mine/2phb) | An Orally Efficacious Factor Xa Inhibitor | 分子名称: | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, Coagulation factor X, ... | 著者 | Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C. | 登録日 | 2007-04-10 | 公開日 | 2008-03-25 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor Chem.Biol.Drug Des., 70, 2007
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2H9T
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![BU of 2h9t by Molmil](/molmil-images/mine/2h9t) | Crystal structure of human alpha-thrombin in complex with suramin | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, PPACK active site thrombin inhibitor, Thrombin | 著者 | Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. | 登録日 | 2006-06-11 | 公開日 | 2007-05-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 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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2HVX
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![BU of 2hvx by Molmil](/molmil-images/mine/2hvx) | Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design | 分子名称: | Chymase, [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | 著者 | Greco, M.N, Hawkins, M.J, Powell, E.T, Almond, H.R, de Garavilla, L, Wang, Y, Minor, L.A, Wells, G.I, Di Cera, E, Cantwell, A.M, Savvides, S.N, Damiano, B.P, Maryanoff, B.E. | 登録日 | 2006-07-31 | 公開日 | 2007-06-12 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase. J.Med.Chem., 50, 2007
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2V35
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![BU of 2v35 by Molmil](/molmil-images/mine/2v35) | Porcine Pancreatic Elastase in complex with inhibitor JM54 | 分子名称: | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID, ELASTASE-1, GLYCEROL, ... | 著者 | Oliveira, T.F, Mulchande, J, Martins, L, Moreira, R, Iley, J, Archer, M. | 登録日 | 2007-06-12 | 公開日 | 2008-06-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | The Efficiency of C-4 Substituents in Activating the Beta-Lactam Scaffold Towards Serine Proteases and Hydroxide Ion. Org.Biomol.Chem., 5, 2007
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2PKS
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![BU of 2pks by Molmil](/molmil-images/mine/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
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![BU of 2pgq by Molmil](/molmil-images/mine/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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2FLR
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![BU of 2flr by Molmil](/molmil-images/mine/2flr) | Novel 5-Azaindole Factor VIIa Inhibitors | 分子名称: | Coagulation factor VII, Tissue factor, [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | 著者 | Riggs, J.R, Hu, H, Kolesnikov, A, Tong, Z, Leahy, E.M, Wesson, K.E, Shrader, W.D, Vijaykumar, D, Wahl, T.A, Sprengeler, P.A, Green, M.J, Yu, C, Katz, B.A, Young, W.B. | 登録日 | 2006-01-06 | 公開日 | 2007-01-23 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Novel 5-azaindole factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2W3I
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![BU of 2w3i by Molmil](/molmil-images/mine/2w3i) | Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 2 | 分子名称: | (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide, CALCIUM ION, COAGULATION FACTOR X, ... | 著者 | Zhang, E, Mochalkin, I, Casimiro-Garcia, A, Van Huis, C.A. | 登録日 | 2008-11-12 | 公開日 | 2009-04-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exploration of 4,4-Disubstituted Pyrrolidine-1,2-Dicarboxamides as Potent, Orally Active Factor Xa Inhibitors with Extended Duration of Action. Bioorg.Med.Chem., 17, 2009
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2Q1J
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![BU of 2q1j by Molmil](/molmil-images/mine/2q1j) | The discovery of glycine and related amino acid-based factor xa inhibitors | 分子名称: | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide, Activated factor Xa heavy chain (EC 3.4.21.6), CALCIUM ION, ... | 著者 | Kohrt, J.T, Filipski, K.J, Cody, W.L, Bigge, C.F, Zhang, E, Finzel, B.C. | 登録日 | 2007-05-24 | 公開日 | 2007-08-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors BIOORG.MED.CHEM., 14, 2006
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2GV6
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![BU of 2gv6 by Molmil](/molmil-images/mine/2gv6) | Crystal Structure of Matriptase with Inhibitor CJ-730 | 分子名称: | (S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE, Suppressor of tumorigenicity 14 | 著者 | Bode, W. | 登録日 | 2006-05-02 | 公開日 | 2006-06-06 | 最終更新日 | 2021-06-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Secondary Amides of Sulfonylated 3-Amidinophenylalanine. New Potent and Selective Inhibitors of Matriptase. J.Med.Chem., 49, 2006
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2I6S
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![BU of 2i6s by Molmil](/molmil-images/mine/2i6s) | Complement component C2a | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C2a fragment, ... | 著者 | Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P. | 登録日 | 2006-08-29 | 公開日 | 2006-10-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of complement component c2a: implications for convertase formation and substrate binding. Structure, 14, 2006
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2GV7
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![BU of 2gv7 by Molmil](/molmil-images/mine/2gv7) | Structure of Matriptase in Complex with Inhibitor CJ-672 | 分子名称: | (S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE, Suppressor of tumorigenicity 14 | 著者 | Bode, W. | 登録日 | 2006-05-02 | 公開日 | 2006-06-06 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Secondary Amides of Sulfonylated 3-Amidinophenylalanine. New Potent and Selective Inhibitors of Matriptase. J.Med.Chem., 49, 2006
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2GP9
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![BU of 2gp9 by Molmil](/molmil-images/mine/2gp9) | Crystal structure of the slow form of thrombin in a self-inhibited conformation | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Prothrombin | 著者 | Pineda, A, Chen, Z, Mathews, F.S, Di Cera, E. | 登録日 | 2006-04-17 | 公開日 | 2006-09-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Crystal structure of thrombin in a self-inhibited conformation. J.Biol.Chem., 281, 2006
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2I6Q
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![BU of 2i6q by Molmil](/molmil-images/mine/2i6q) | Complement component C2a | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C2a fragment, ... | 著者 | Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P. | 登録日 | 2006-08-29 | 公開日 | 2006-10-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of complement component c2a: implications for convertase formation and substrate binding. Structure, 14, 2006
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2HGT
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![BU of 2hgt by Molmil](/molmil-images/mine/2hgt) | |