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1LPG
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CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79.
分子名称: Blood coagulation factor Xa, CALCIUM ION, [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
著者Schreuder, H.A, Brachvogel, V, Liesum, A.
登録日2002-05-08
公開日2003-05-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa.
J.Med.Chem., 45, 2002
1LPK
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CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125.
分子名称: 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION
著者Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A.
登録日2002-05-08
公開日2003-05-08
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
1LPZ
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CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41.
分子名称: 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION
著者Schreuder, H.A, Brachvogel, V, Liesum, A.
登録日2002-05-08
公開日2003-05-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Biol.Chem., 45, 2002
1LQD
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CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45.
分子名称: 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION
著者Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A.
登録日2002-05-10
公開日2003-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
1NFU
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR132747
分子名称: 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, COAGULATION FACTOR XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
1NFW
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR209685
分子名称: 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE, CALCIUM ION, COAGULATION FACTOR XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
1NFX
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208944
分子名称: 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE, CALCIUM ION, COAGULATION FACTOR XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
1NFY
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR200095
分子名称: 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Coagulation factor XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
1NQL
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Structure of the extracellular domain of human epidermal growth factor (EGF) receptor in an inactive (low pH) complex with EGF.
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, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ferguson, K.M, Lemmon, M.A.
登録日2003-01-21
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献EGF activates its receptor by removing interactions that auto-inhibit ectodomain dimerization
Mol.Cell, 11, 2003
1O5D
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Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Coagulation factor VII, Tissue factor
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
1P0S
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Crystal Structure of Blood Coagulation Factor Xa in Complex with Ecotin M84R
分子名称: Coagulation factor X precursor, Ecotin precursor, MAGNESIUM ION, ...
著者Wang, S.X, Hur, E, Sousa, C.A, Brinen, L, Slivka, E.J, Fletterick, R.J.
登録日2003-04-10
公開日2003-08-26
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Extended Interactions and Gla Domain of Blood Coagulation Factor Xa
Biochemistry, 42, 2003
1P9J
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Solution structure and dynamics of the EGF/TGF-alpha chimera T1E
分子名称: chimera of Epidermal growth factor(EGF) and Transforming growth factor alpha (TGF-alpha)
著者Wingens, M, Walma, T, Van Ingen, H, Stortelers, C, Van Leeuwen, J.E, Van Zoelen, E.J, Vuister, G.W.
登録日2003-05-12
公開日2003-10-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Analysis of an Epidermal Growth Factor/Transforming Growth Factor-alpha Chimera with Unique ErbB Binding Specificity.
J.Biol.Chem., 278, 2003
1PFX
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PORCINE FACTOR IXA
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, FACTOR IXA
著者Brandstetter, H, Bauer, M, Huber, R, Lollar, P, Bode, W.
登録日1995-07-19
公開日1996-08-17
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray structure of clotting factor IXa: active site and module structure related to Xase activity and hemophilia B.
Proc.Natl.Acad.Sci.USA, 92, 1995
1PXX
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CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kiefer, J.R, Rowlinson, S.W, Prusakiewicz, J.J, Pawlitz, J.L, Kozak, K.R, Kalgutkar, A.S, Stallings, W.C, Marnett, L.J, Kurumbail, R.G.
登録日2003-07-07
公開日2003-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385.
J.Biol.Chem., 278, 2003
1QFK
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STRUCTURE OF HUMAN FACTOR VIIA AND ITS IMPLICATIONS FOR THE TRIGGERING OF BLOOD COAGULATION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COAGULATION FACTOR VIIA HEAVY CHAIN, ...
著者Pike, A.C.W, Brzozowski, A.M, Roberts, S.M, Olsen, O.H, Persson, E.
登録日1999-04-12
公開日1999-08-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human factor VIIa and its implications for the triggering of blood coagulation.
Proc.Natl.Acad.Sci.USA, 96, 1999
1TOZ
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NMR structure of the human NOTCH-1 ligand binding region
分子名称: Neurogenic locus notch homolog protein 1
著者Hambleton, S, Valeyev, N.Y, Muranyi, A, Knott, V, Werner, J.M, Mcmichael, A.J, Handford, P.A, Downing, A.K.
登録日2004-06-15
公開日2004-10-12
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structural and functional properties of the human notch-1 ligand binding region
STRUCTURE, 12, 2004
1TPG
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F1-G MODULE PAIR RESIDUES 1-91 (C83S) OF TISSUE-TYPE PLASMINOGEN ACTIVATOR (T-PA) (NMR, 298K, PH2.95, REPRESENTATIVE STRUCTURE)
分子名称: T-PLASMINOGEN ACTIVATOR F1-G
著者Smith, B.O, Downing, A.K, Driscoll, P.C, Dudgeon, T.J, Campbell, I.D.
登録日1995-06-14
公開日1995-09-15
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献The solution structure and backbone dynamics of the fibronectin type I and epidermal growth factor-like pair of modules of tissue-type plasminogen activator.
Structure, 3, 1995
1W0Y
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tf7a_3771 complex
分子名称: 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
著者Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
登録日2004-05-27
公開日2005-01-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1W2K
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tf7a_4380 complex
分子名称: (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
著者Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
登録日2004-07-06
公開日2005-06-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1WHE
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COAGULATION FACTOR, NMR, 20 STRUCTURES
分子名称: COAGULATION FACTOR X
著者Sunnerhagen, M, Olah, G.A, Stenflo, J, Forsen, S, Drakenberg, T, Trewhella, J.
登録日1996-06-18
公開日1997-05-15
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献The relative orientation of Gla and EGF domains in coagulation factor X is altered by Ca2+ binding to the first EGF domain. A combined NMR-small angle X-ray scattering study.
Biochemistry, 35, 1996
1WHF
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COAGULATION FACTOR, NMR, 15 STRUCTURES
分子名称: COAGULATION FACTOR X
著者Sunnerhagen, M, Olah, G.A, Stenflo, J, Forsen, S, Drakenberg, T, Trewhella, J.
登録日1996-06-18
公開日1997-05-15
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献The relative orientation of Gla and EGF domains in coagulation factor X is altered by Ca2+ binding to the first EGF domain. A combined NMR-small angle X-ray scattering study.
Biochemistry, 35, 1996
1WQV
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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
1WSS
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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
1WTG
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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
1WU1
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Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine
分子名称: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
著者Suzuki, M.
登録日2004-11-29
公開日2005-11-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Bioorg.Med.Chem., 13, 2005

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