3GCJ
 
 | | Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | | Authors: | Singh, A.K, Singh, N, Sinha, M, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2009-02-22 | | Release date: | 2009-03-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
To be Published
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3GCK
 | | Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZHYDROXAMIC ACID, CALCIUM ION, ... | | Authors: | Singh, A.K, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2009-02-22 | | Release date: | 2009-03-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
To be Published
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4O1Z
 | | Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam | | 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-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreselasie, K, Clayton, G.M, Garavito, R.M, Marnett, L.J. | | Deposit date: | 2013-12-16 | | Release date: | 2014-01-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
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4NJB
 | | Crystal structure of the complex of lactoperoxidase from bovine with 3,3-oxydipyridine at 2.31 A resolution | | 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: | Yamini, S, Sirohi, H.V, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-11-09 | | Release date: | 2013-11-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structure of the complex of lactoperoxidase from bovine with 3,3-oxydipyridine at 2.31 A resolution
To be Published
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4MSF
 | | Crystal structure of the complex of goat lactoperoxidase with 3-hydroxymethyl phenol at 1.98 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(hydroxymethyl)phenol, ... | | Authors: | Singh, A, Singh, R.P, Sinha, M, Singh, A.K, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-09-18 | | Release date: | 2013-10-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of the complex of goat lactoperoxidase with 3-hydroxymethyl phenol at 1.98 Angstrom resolution
To be published
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4OEK
 | | Crystal Structure of the Complex of goat Lactoperoxidase with Phenylethylamine at 2.47 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-PHENYLETHYLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kumar, M, Singh, R.P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-01-13 | | Release date: | 2014-01-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal Structure of the Complex of goat Lactoperoxidase with Phenylethylamine at 2.47 A
To be Published
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2OYE
 | | Indomethacin-(R)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1 | | Descriptor: | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Harman, C.A, Garavito, R.M. | | Deposit date: | 2007-02-21 | | Release date: | 2007-07-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
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6WXZ
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.226 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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6WYD
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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2OYU
 | | Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1 | | Descriptor: | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Harman, C.A, Garavito, R.M. | | Deposit date: | 2007-02-23 | | Release date: | 2007-07-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
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2PT3
 | | Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ... | | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P. | | Deposit date: | 2007-05-08 | | Release date: | 2007-05-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites
To be Published
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6WY5
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.898 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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6Y3C
 | | Human COX-1 Crystal Structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Prostaglandin G/H synthase 1, ... | | Authors: | Miciaccia, M, Belviso, B.D, Iaselli, M, Ferorelli, S, Perrone, M.G, Caliandro, R, Scilimati, A. | | Deposit date: | 2020-02-18 | | Release date: | 2020-02-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.361 Å) | | Cite: | Three-dimensional structure of human cyclooxygenase (hCOX)-1.
Sci Rep, 11, 2021
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6WY7
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.089 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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6WY0
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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2OJV
 | | Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ... | | Authors: | Singh, A.K, Singh, N, Singh, S.B, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-01-15 | | Release date: | 2007-01-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution
To be Published
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2R5L
 | | Crystal structure of lactoperoxidase at 2.4A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | | Deposit date: | 2007-09-04 | | Release date: | 2007-09-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Lactoperoxidase at 2.4 A Resolution.
J.Mol.Biol., 376, 2007
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4PNX
 | | Crystal structure of the complex of lactoperoxidase with bromo methane at 2.41 angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMOMETHANE, CALCIUM ION, ... | | Authors: | Sirohi, H.V, Tyagi, T.K, Singh, A.K, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-02-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution.
Biochim.Biophys.Acta, 1865, 2017
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2QQT
 | | Crystal structure of the complex of bovine lactoperoxidase with acetyl salicylic acid at 2.5 A resolution | | Descriptor: | 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-07-27 | | Release date: | 2007-08-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the complex of bovine lactoperoxidase with acetyl salicylic acid at 2.5 A resolution
To be Published
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2QRB
 | | Crystal structure of chloride saturated bovine lactoperoxidase at 2.5 A resolution shows multiple halide binding sites | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-07-28 | | Release date: | 2007-08-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of chloride saturated bovine lactoperoxidase at 2.5 A resolution shows multiple halide binding sites
To be Published
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2QPK
 | | Crystal structure of the complex of bovine lactoperoxidase with salicylhydroxamic acid at 2.34 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-07-24 | | Release date: | 2007-08-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution.
Biochim.Biophys.Acta, 1865, 2017
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4QJQ
 | | Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, ... | | Authors: | Singh, R.P, Kushwaha, G.S, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-06-04 | | Release date: | 2014-06-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 Angstrom resolution
To be Published
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2PUM
 | | Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CATECHOL, ... | | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-05-09 | | Release date: | 2007-05-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution
To be Published
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7DAO
 | | Crystal structure of native yak lactoperoxidase at 2.28 A resolution | | 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: | Singh, P.K, Ahmad, N, Rani, C, Sharma, P, Sharma, S, Singh, T.P. | | Deposit date: | 2020-10-16 | | Release date: | 2020-10-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure of native yak lactoperoxidase at 2.28 A resolution
To Be Published
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7DMR
 | | Crystal structure of potassium induced heme modification in yak lactoperoxidase at 2.20 A resolution | | 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: | Singh, P.K, Rani, C, Sharma, P, Sharma, S, Singh, T.P. | | Deposit date: | 2020-12-06 | | Release date: | 2020-12-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution.
J.Biol.Inorg.Chem., 26, 2021
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