7TPP
 
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7TPQ
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5JZU
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5FM9
 | | human Notch 1, EGF 4-7 | | 分子名称: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | 著者 | Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C. | | 登録日 | 2015-11-02 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies.
Structure, 24, 2016
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5JZ8
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer) | | 分子名称: | ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | | 著者 | McDonough, M.A, Pfeffer, I. | | 登録日 | 2016-05-16 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.095 Å) | | 主引用文献 | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
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5JVY
 | | Crystal structure of S121P murine COX-2 mutant | | 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, ACRYLIC ACID, ... | | 著者 | Orlando, B.J, Malkowski, M.G, Dong, L. | | 登録日 | 2016-05-11 | | 公開日 | 2016-10-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit.
J.Biol.Chem., 291, 2016
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5JTC
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, 2,4-pyridine dicarboxylate and factor X substrate peptide fragment(39mer-4Ser) | | 分子名称: | Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ... | | 著者 | McDonough, M.A, Pfeffer, I. | | 登録日 | 2016-05-09 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Aspartate/asparagine-beta-hydroxylase: a high-throughput mass spectrometric assay for discovery of small molecule inhibitors.
Sci Rep, 10, 2020
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5JVZ
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4Z0L
 | | The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | | 分子名称: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | | 登録日 | 2015-03-26 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2.
Chemmedchem, 11, 2016
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4Z6A
 | | Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor | | 分子名称: | CALCIUM ION, CITRIC ACID, Coagulation factor VII, ... | | 著者 | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | 登録日 | 2015-04-04 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | 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 | | 分子名称: | CACODYLATE ION, CALCIUM ION, Coagulation factor VII, ... | | 著者 | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | 登録日 | 2015-05-02 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Convery, M.A. | | 登録日 | 2015-04-24 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Factor Xa complex with GTC000102
To Be Published
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5BO1
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2J95
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | 分子名称: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | 著者 | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | 登録日 | 2006-11-02 | | 公開日 | 2007-03-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | 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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2J4I
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | 分子名称: | 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-, ... | | 著者 | Young, R.J, Campbell, M, Borthwick, A.D, Brown, D, Chan, C, Convery, M.A, Crowe, M.C, Dayal, S, Diallo, H, Kelly, H.A, Paul King, N, Kleanthous, S, Kurtis, C.L, Mason, A.M, Mordaunt, J.E, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Smith, P.W, Watson, N.S, Weston, H.E, Zhou, P. | | 登録日 | 2006-08-31 | | 公開日 | 2006-09-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs.
Bioorg.Med.Chem.Lett., 16, 2006
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2J38
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | 分子名称: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | 著者 | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | | 登録日 | 2006-08-18 | | 公開日 | 2006-09-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2J94
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | 分子名称: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | | 著者 | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | 登録日 | 2006-11-02 | | 公開日 | 2007-03-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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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2J2U
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | 分子名称: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE, COAGULATION FACTOR X HEAVY CHAIN, COAGULATION FACTOR X LIGHT CHAIN | | 著者 | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | | 登録日 | 2006-08-17 | | 公開日 | 2006-09-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2J34
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | 分子名称: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | 著者 | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | | 登録日 | 2006-08-18 | | 公開日 | 2006-09-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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4ZH8
 | | Factor Xa complex with GTC000006 | | 分子名称: | 6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X | | 著者 | Convery, M.A. | | 登録日 | 2015-04-24 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Factor Xa complex with GTC000006
To Be Published
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3HS7
 | | X-ray crystal structure of docosahexaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | | 登録日 | 2009-06-10 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structural basis of fatty acid substrate binding to cyclooxygenase-2.
J.Biol.Chem., 285, 2010
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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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3K9X
 | | X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | | 分子名称: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | | 著者 | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | | 登録日 | 2009-10-16 | | 公開日 | 2009-12-15 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
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3HPT
 | | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | | 分子名称: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | | 登録日 | 2009-06-04 | | 公開日 | 2009-11-17 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3HS5
 | | X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | | 登録日 | 2009-06-10 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis of fatty acid substrate binding to cyclooxygenase-2.
J.Biol.Chem., 285, 2010
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