1ESA
 
 | | DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE | | 分子名称: | CALCIUM ION, PORCINE PANCREATIC ELASTASE, SULFATE ION | | 著者 | Ding, X, Rasmussen, B, Petsko, G.A, Ringe, D. | | 登録日 | 1994-02-04 | | 公開日 | 1994-04-30 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase.
Biochemistry, 33, 1994
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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
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1EAU
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE | | 分子名称: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | 著者 | Ceccarelli, C. | | 登録日 | 1994-11-22 | | 公開日 | 1995-02-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone.
J.Med.Chem., 38, 1995
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1EAT
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES | | 分子名称: | 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | 著者 | Ceccarelli, C. | | 登録日 | 1994-11-22 | | 公開日 | 1995-02-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones.
J.Med.Chem., 38, 1995
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1F5L
 | | UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN-AMILORIDE COMPLEX | | 分子名称: | 3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-CHLOROPYRAZINECARBOXAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | 著者 | Zeslawska, E, Schweinitz, A, Karcher, A, Sondermann, P, Sperl, S, Sturzebecher, J, Jacob, U. | | 登録日 | 2000-06-15 | | 公開日 | 2001-06-15 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design.
J.Mol.Biol., 301, 2000
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1F5K
 | | UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN-BENZAMIDINE COMPLEX | | 分子名称: | BENZAMIDINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | 著者 | Zeslawska, E, Schweinitz, A, Karcher, A, Sondermann, P, Sperl, S, Sturzebecher, J, Jacob, U. | | 登録日 | 2000-06-15 | | 公開日 | 2001-06-15 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design.
J.Mol.Biol., 301, 2000
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1FPC
 | | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | | 分子名称: | Hirudin, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium, thrombin | | 著者 | Tulinsky, A, Mathews, I.I. | | 登録日 | 1994-10-16 | | 公開日 | 1995-02-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
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1FPH
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1F92
 | | UROKINASE PLASMINOGEN ACTIVATOR B CHAIN-UKI-1D COMPLEX | | 分子名称: | SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR, [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE | | 著者 | Zeslawska, E, Schweinitz, A, Karcher, A, Sondermann, P, Sperl, S, Sturzebecher, J, Jacob, U. | | 登録日 | 2000-07-06 | | 公開日 | 2001-07-06 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design.
J.Mol.Biol., 301, 2000
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1FIW
 | | THREE-DIMENSIONAL STRUCTURE OF BETA-ACROSIN FROM RAM SPERMATOZOA | | 分子名称: | BETA-ACROSIN HEAVY CHAIN, BETA-ACROSIN LIGHT CHAIN, P-AMINO BENZAMIDINE, ... | | 著者 | Tranter, R, Read, J.A, Jones, R, Brady, R.L. | | 登録日 | 2000-08-07 | | 公開日 | 2000-11-08 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Effector sites in the three-dimensional structure of mammalian sperm beta-acrosin.
Structure Fold.Des., 8, 2000
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1FIZ
 | | THREE DIMENSIONAL STRUCTURE OF BETA-ACROSIN FROM BOAR SPERMATOZOA | | 分子名称: | BETA-ACROSIN HEAVY CHAIN, BETA-ACROSIN LIGHT CHAIN, P-AMINO BENZAMIDINE, ... | | 著者 | Tranter, R, Read, J.A, Jones, R, Brady, R.L. | | 登録日 | 2000-08-07 | | 公開日 | 2000-11-08 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Effector sites in the three-dimensional structure of mammalian sperm beta-acrosin.
Structure Fold.Des., 8, 2000
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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
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1U6Q
 | | Substituted 2-Naphthamadine inhibitors of Urokinase | | 分子名称: | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator | | 著者 | Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L. | | 登録日 | 2004-07-30 | | 公開日 | 2004-10-19 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
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5UBM
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1W7X
 | | Factor7 - 413 complex | | 分子名称: | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID, BLOOD COAGULATION FACTOR VIIA, CALCIUM ION, ... | | 著者 | Ackermann, J, Alig, L, Banner, D.W, Boehm, H.-J, Groebke-Zbinden, K, Hilpert, K, Lave, T, Kuehne, H, Obst-Sander, U, Riederer, M.A, Stahl, M, Tschopp, T.B, Weber, L, Wessel, H.P. | | 登録日 | 2004-09-14 | | 公開日 | 2005-10-25 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Selective and Orally Bioavailable Phenylglycine Tissue Factor/Factor Viia Inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
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1WTG
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine | | 分子名称: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ... | | 著者 | Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | 登録日 | 2004-11-23 | | 公開日 | 2005-11-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 326, 2005
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1WQV
 | | Human Factor Viia-Tissue Factor Complexed with propylsulfonamide-D-Thr-Met-p-aminobenzamidine | | 分子名称: | CALCIUM ION, Coagulation factor VII, N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE, ... | | 著者 | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H. | | 登録日 | 2004-10-02 | | 公開日 | 2005-10-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of human factor VIIa/tissue factor in complex with peptide mimetic inhibitor
Biochem.Biophys.Res.Commun., 324, 2004
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1WUN
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine | | 分子名称: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE, ... | | 著者 | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | 登録日 | 2004-12-08 | | 公開日 | 2005-12-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
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5VOE
 | | DesGla-XaS195A Bound to Aptamer 11F7t | | 分子名称: | Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ... | | 著者 | Gunaratne, R, Kumar, S, Frederiksen, J.W, Stayrook, S, Lohrmann, J.L, Perry, K, Chabata, C.V, Thalji, N.K, Ho, M.D, Arepally, G, Camire, R.M, Krishnaswamy, S.K, Sullenger, B.A. | | 登録日 | 2017-05-02 | | 公開日 | 2018-06-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
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1WU1
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1WSS
 | | Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two charged groups in P2 and P4 | | 分子名称: | CALCIUM ION, Coagulation factor VII, N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE, ... | | 著者 | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | 登録日 | 2004-11-10 | | 公開日 | 2005-11-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of human factor VIIa/tissue factor in complex with a peptide-mimetic inhibitor: high selectivity against thrombin by introducing two charged groups in P2 and P4.
Acta Crystallogr.,Sect.F, 61, 2005
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1WV7
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine | | 分子名称: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE, ... | | 著者 | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | 登録日 | 2004-12-11 | | 公開日 | 2005-12-11 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
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5VOF
 | | DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban | | 分子名称: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ... | | 著者 | Krishnaswamy, S, Kumar, S. | | 登録日 | 2017-05-02 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
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1VR1
 | | Specifity for Plasminogen Activator Inhibitor-1 | | 分子名称: | Hirudin, thrombin | | 著者 | Dekker, R.J, Eichinger, A, Stoop, A.A, Bode, W, Pannekoek, H, Horrevoets, A.J.G. | | 登録日 | 1998-12-11 | | 公開日 | 1999-12-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The variable region-1 from tissue-type plasminogen activator confers specificity for plasminogen activator inhibitor-1 to thrombin by facilitating catalysis: release of a kinetic block by a heterologous protein surface loop
J.Mol.Biol., 293, 1999
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1VJ9
 | | Urokinase Plasminogen Activator B-Chain-JT464 Complex | | 分子名称: | N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE, SULFATE ION, plasminogen activator, ... | | 著者 | Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J. | | 登録日 | 2004-02-03 | | 公開日 | 2004-06-22 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents
J.Biol.Chem., 279, 2004
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