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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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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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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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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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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1WUN
| Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine | Descriptor: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE, ... | Authors: | 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. | Deposit date: | 2004-12-08 | Release date: | 2005-12-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor Biochem.Biophys.Res.Commun., 327, 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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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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1WV7
| Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine | Descriptor: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE, ... | Authors: | 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. | Deposit date: | 2004-12-11 | Release date: | 2005-12-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor Biochem.Biophys.Res.Commun., 327, 2005
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1WU1
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1XKA
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1XKB
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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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1X7A
| Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | Descriptor: | 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ... | Authors: | Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M. | Deposit date: | 2004-08-13 | Release date: | 2005-08-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa Bioorg.Med.Chem.Lett., 14, 2004
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1Z6J
| Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor | Descriptor: | 5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE, CALCIUM ION, Coagulation factor VII, ... | Authors: | Schweitzer, B.A, Neumann, W.L, Rahman, H.K, Kusturin, C.L, Sample, K.R, Poda, G.I, Kurumbail, R.G, Stevens, A.M, Stegeman, R.A, Stallings, W.C. | Deposit date: | 2005-03-22 | Release date: | 2005-05-03 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa. Bioorg.Med.Chem.Lett., 15, 2005
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4XL1
| Complex of Notch1 (EGF11-13) bound to Delta-like 4 (N-EGF1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Luca, V.C, Jude, K.M, Garcia, K.C. | Deposit date: | 2015-01-13 | Release date: | 2015-03-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural biology. Structural basis for Notch1 engagement of Delta-like 4. Science, 347, 2015
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4XLW
| Complex of Notch1 (EGF11-13) bound to Delta-like 4 (N-EGF2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Delta-like protein, ... | Authors: | Luca, V.C, Jude, K.M, Garcia, K.C. | Deposit date: | 2015-01-13 | Release date: | 2015-03-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.39 Å) | Cite: | Structural biology. Structural basis for Notch1 engagement of Delta-like 4. Science, 347, 2015
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4Z6A
| Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor | Descriptor: | CALCIUM ION, CITRIC ACID, Coagulation factor VII, ... | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | Deposit date: | 2015-04-04 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity. J.Biol.Chem., 291, 2016
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4ZMA
| Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor | Descriptor: | CACODYLATE ION, CALCIUM ION, Coagulation factor VII, ... | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | Deposit date: | 2015-05-02 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity. J.Biol.Chem., 291, 2016
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4ZHA
| Factor Xa complex with GTC000102 | Descriptor: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide, CALCIUM ION, Coagulation factor X, ... | Authors: | Convery, M.A. | Deposit date: | 2015-04-24 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Factor Xa complex with GTC000102 To Be Published
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4Y76
| Factor Xa complex with GTC000401 | Descriptor: | CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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4Y79
| Factor Xa complex with GTC000406 | Descriptor: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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4Y7B
| Factor Xa complex with GTC000441 | Descriptor: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Factor Xa complex with GTC000441 to be published
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4YLQ
| Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor | Descriptor: | CALCIUM ION, Coagulation factor VII, N-PROPANOL, ... | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | Deposit date: | 2015-03-05 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity. J.Biol.Chem., 291, 2016
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