4Y71
| Factor Xa complex with GTC000398 | Descriptor: | 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide, 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 (1.8 Å) | Cite: | Factor Xa complex with GTC000398 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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4Y7A
| Factor Xa complex with GTC000422 | Descriptor: | CALCIUM ION, Coagulation factor X, MAGNESIUM ION, ... | 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 (1.99 Å) | Cite: | Factor Xa complex with GTC000422 to be published
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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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4Z0L
| The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | Descriptor: | (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, ... | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | Deposit date: | 2015-03-26 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | 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 | 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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4ZH8
| Factor Xa complex with GTC000006 | Descriptor: | 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 | Authors: | Convery, M.A. | Deposit date: | 2015-04-24 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Factor Xa complex with GTC000006 To Be Published
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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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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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5BO1
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5COX
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5F84
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5F85
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5F86
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5FDQ
| Murine COX-2 S530T mutant | Descriptor: | 2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | Deposit date: | 2015-12-16 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry, 55, 2016
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5FM9
| human Notch 1, EGF 4-7 | Descriptor: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | Authors: | Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C. | Deposit date: | 2015-11-02 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies. Structure, 24, 2016
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5FMA
| human Notch 1, EGF 4-7 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C. | Deposit date: | 2015-11-02 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies. Structure, 24, 2016
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5JQY
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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) | Descriptor: | Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ... | Authors: | McDonough, M.A, Pfeffer, I. | Deposit date: | 2016-05-09 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase: a high-throughput mass spectrometric assay for discovery of small molecule inhibitors. Sci Rep, 10, 2020
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5JVY
| Crystal structure of S121P murine COX-2 mutant | Descriptor: | 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, ... | Authors: | Orlando, B.J, Malkowski, M.G, Dong, L. | Deposit date: | 2016-05-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | 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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5JVZ
| Crystal structure of flurbiprofen bound to S121P murine COX-2 mutant | Descriptor: | 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, ... | Authors: | Malkowski, M.G, Orlando, B.J. | Deposit date: | 2016-05-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | 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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5JW1
| Crystal structure of Celecoxib bound to S121P murine COX-2 mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | Authors: | Malkowski, M.G, Orlando, B.J. | Deposit date: | 2016-05-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | 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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5JZ8
| Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer) | Descriptor: | ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | McDonough, M.A, Pfeffer, I. | Deposit date: | 2016-05-16 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | 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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