1LPG
 
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79. | | Descriptor: | Blood coagulation factor Xa, CALCIUM ION, [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | | Authors: | Schreuder, H.A, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-08 | | Release date: | 2003-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
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1LPK
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. | | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION | | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-08 | | Release date: | 2003-05-08 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
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1LPZ
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. | | Descriptor: | 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION | | Authors: | Schreuder, H.A, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-08 | | Release date: | 2003-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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
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1LQD
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. | | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION | | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-10 | | Release date: | 2003-05-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 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
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1NFU
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR132747 | | Descriptor: | 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, COAGULATION FACTOR XA, ... | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-12-16 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
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1NFW
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR209685 | | Descriptor: | 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, ... | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-12-16 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors:
preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
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1NFX
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208944 | | Descriptor: | 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, ... | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-12-16 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors:
preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
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1NFY
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR200095 | | Descriptor: | 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Coagulation factor XA, ... | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-12-16 | | Release date: | 2003-02-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
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1NQL
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1O5D
 | | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Coagulation factor VII, Tissue factor | | Authors: | 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. | | Deposit date: | 2003-09-09 | | Release date: | 2004-09-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
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1P0S
 | | Crystal Structure of Blood Coagulation Factor Xa in Complex with Ecotin M84R | | Descriptor: | Coagulation factor X precursor, Ecotin precursor, MAGNESIUM ION, ... | | Authors: | Wang, S.X, Hur, E, Sousa, C.A, Brinen, L, Slivka, E.J, Fletterick, R.J. | | Deposit date: | 2003-04-10 | | Release date: | 2003-08-26 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Extended Interactions and Gla Domain of Blood Coagulation Factor Xa
Biochemistry, 42, 2003
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1P9J
 | | Solution structure and dynamics of the EGF/TGF-alpha chimera T1E | | Descriptor: | chimera of Epidermal growth factor(EGF) and Transforming growth factor alpha (TGF-alpha) | | Authors: | Wingens, M, Walma, T, Van Ingen, H, Stortelers, C, Van Leeuwen, J.E, Van Zoelen, E.J, Vuister, G.W. | | Deposit date: | 2003-05-12 | | Release date: | 2003-10-07 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis of an Epidermal Growth Factor/Transforming Growth Factor-alpha Chimera with Unique ErbB Binding Specificity.
J.Biol.Chem., 278, 2003
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1PFX
 | | PORCINE FACTOR IXA | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, FACTOR IXA | | Authors: | Brandstetter, H, Bauer, M, Huber, R, Lollar, P, Bode, W. | | Deposit date: | 1995-07-19 | | Release date: | 1996-08-17 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 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
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1PXX
 | | CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2 | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2003-07-07 | | Release date: | 2003-09-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385.
J.Biol.Chem., 278, 2003
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1QFK
 | | STRUCTURE OF HUMAN FACTOR VIIA AND ITS IMPLICATIONS FOR THE TRIGGERING OF BLOOD COAGULATION | | Descriptor: | 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, ... | | Authors: | Pike, A.C.W, Brzozowski, A.M, Roberts, S.M, Olsen, O.H, Persson, E. | | Deposit date: | 1999-04-12 | | Release date: | 1999-08-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human factor VIIa and its implications for the triggering of blood coagulation.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1TOZ
 | | NMR structure of the human NOTCH-1 ligand binding region | | Descriptor: | Neurogenic locus notch homolog protein 1 | | Authors: | Hambleton, S, Valeyev, N.Y, Muranyi, A, Knott, V, Werner, J.M, Mcmichael, A.J, Handford, P.A, Downing, A.K. | | Deposit date: | 2004-06-15 | | Release date: | 2004-10-12 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Structural and functional properties of the human notch-1 ligand binding region
STRUCTURE, 12, 2004
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1TPG
 | | F1-G MODULE PAIR RESIDUES 1-91 (C83S) OF TISSUE-TYPE PLASMINOGEN ACTIVATOR (T-PA) (NMR, 298K, PH2.95, REPRESENTATIVE STRUCTURE) | | Descriptor: | T-PLASMINOGEN ACTIVATOR F1-G | | Authors: | Smith, B.O, Downing, A.K, Driscoll, P.C, Dudgeon, T.J, Campbell, I.D. | | Deposit date: | 1995-06-14 | | Release date: | 1995-09-15 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | 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
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1W0Y
 | | tf7a_3771 complex | | Descriptor: | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | | Authors: | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | | Deposit date: | 2004-05-27 | | Release date: | 2005-01-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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1W2K
 | | tf7a_4380 complex | | Descriptor: | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | | Authors: | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | | Deposit date: | 2004-07-06 | | Release date: | 2005-06-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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1WHE
 | | COAGULATION FACTOR, NMR, 20 STRUCTURES | | Descriptor: | COAGULATION FACTOR X | | Authors: | Sunnerhagen, M, Olah, G.A, Stenflo, J, Forsen, S, Drakenberg, T, Trewhella, J. | | Deposit date: | 1996-06-18 | | Release date: | 1997-05-15 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | 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
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1WHF
 | | COAGULATION FACTOR, NMR, 15 STRUCTURES | | Descriptor: | COAGULATION FACTOR X | | Authors: | Sunnerhagen, M, Olah, G.A, Stenflo, J, Forsen, S, Drakenberg, T, Trewhella, J. | | Deposit date: | 1996-06-18 | | Release date: | 1997-05-15 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | 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
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1WQV
 | | Human Factor Viia-Tissue Factor Complexed with propylsulfonamide-D-Thr-Met-p-aminobenzamidine | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H. | | Deposit date: | 2004-10-02 | | Release date: | 2005-10-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human factor VIIa/tissue factor in complex with peptide mimetic inhibitor
Biochem.Biophys.Res.Commun., 324, 2004
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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 | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE, ... | | Authors: | 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. | | Deposit date: | 2004-11-10 | | Release date: | 2005-11-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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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1WTG
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine | | Descriptor: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ... | | Authors: | 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. | | Deposit date: | 2004-11-23 | | Release date: | 2005-11-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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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1WU1
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