7OF9
| Keap1 kelch domain bound to a small molecule fragment | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, [(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7OFE
| Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7OF8
| Keap1 kelch domain bound to a small molecule fragment | Descriptor: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid, Kelch-like ECH-associated protein 1 | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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4ZG1
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1GWU
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4UM3
| Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 | Descriptor: | 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ... | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | Deposit date: | 2014-05-14 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity Mol.Pharmacol., 88, 2015
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4UM1
| Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 | Descriptor: | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | Deposit date: | 2014-05-14 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity Mol.Pharmacol., 88, 2015
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1GX2
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1GWO
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1MW2
| Amylosucrase soaked with 100mM sucrose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, amylosucrase, ... | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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1MW3
| Amylosucrase soaked with 1M sucrose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, amylosucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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1MVY
| Amylosucrase mutant E328Q co-crystallized with maltoheptaose. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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1MW1
| Amylosucrase soaked with 14mM sucrose. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, amylosucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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1MW0
| Amylosucrase mutant E328Q co-crystallized with maltoheptaose then soaked with maltoheptaose. | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, amylosucrase, ... | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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1S46
| Covalent intermediate of the E328Q amylosucrase mutant | Descriptor: | amylosucrase, beta-D-glucopyranose | Authors: | Jensen, M.H, Mirza, O, Albenne, C, Remaud-Simeon, M, Monsan, P, Gajhede, M, Skov, L.K. | Deposit date: | 2004-01-15 | Release date: | 2004-03-23 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the covalent intermediate of amylosucrase from Neisseria polysaccharea. Biochemistry, 43, 2004
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1GWT
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1KZM
| Distal Heme Pocket Mutant (R38S/H42E) of Recombinant Horseradish Peroxidase C (HRP C). | Descriptor: | CACODYLATE ION, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Meno, K, Henriksen, A, Smith, A.T, Gajhede, M. | Deposit date: | 2002-02-07 | Release date: | 2002-10-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis of the two horseradish peroxidase catalytic residue variants H42E and R38S/H42E: implications for the catalytic cycle. Acta Crystallogr.,Sect.D, 58, 2002
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2PBW
| Crystal Structure of the Ligand-Binding Core of iGluR5 in Complex with the Partial agonist Domoic Acid at 2.5 A Resolution | Descriptor: | (2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID, Glutamate receptor, ionotropic kainate 1 | Authors: | Hald, H, Naur, P, Gajhede, M, Kastrup, J.S. | Deposit date: | 2007-03-29 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Partial agonism and antagonism of the ionotropic glutamate receptor iGLuR5: structures of the ligand-binding core in complex with domoic acid and 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid. J.Biol.Chem., 282, 2007
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2PSP
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3H6W
| Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5217 at 1.50 A resolution | Descriptor: | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide, DIMETHYL SULFOXIDE, GLUTAMIC ACID, ... | Authors: | Hald, H, Gajhede, M, Kastrup, J.S. | Deposit date: | 2009-04-24 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2. J.Mol.Biol., 391, 2009
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4G8N
| Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist G8M | Descriptor: | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid, CHLORIDE ION, Glutamate receptor, ... | Authors: | Venskutonyte, R, Kastrup, J.S, Frydenvang, K, Gajhede, M. | Deposit date: | 2012-07-23 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Pharmacological and structural characterization of conformationally restricted (S)-glutamate analogues at ionotropic glutamate receptors. J.Struct.Biol., 180, 2012
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3H6T
| Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and cyclothiazide at 2.25 A resolution | Descriptor: | ACETATE ION, CACODYLATE ION, CYCLOTHIAZIDE, ... | Authors: | Hald, H, Gajhede, M, Kastrup, J.S. | Deposit date: | 2009-04-24 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2. J.Mol.Biol., 391, 2009
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3H6V
| Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5206 at 2.10 A resolution | Descriptor: | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide, DIMETHYL SULFOXIDE, GLUTAMIC ACID, ... | Authors: | Hald, H, Gajhede, M, Kastrup, J.S. | Deposit date: | 2009-04-24 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2. J.Mol.Biol., 391, 2009
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3H6U
| Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS1493 at 1.85 A resolution | Descriptor: | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CITRATE ANION, GLUTAMIC ACID, ... | Authors: | Hald, H, Gajhede, M, Kastrup, J.S. | Deposit date: | 2009-04-24 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2. J.Mol.Biol., 391, 2009
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1G5A
| AMYLOSUCRASE FROM NEISSERIA POLYSACCHAREA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMYLOSUCRASE, ... | Authors: | Skov, L.K, Mirza, O, Henriksen, A, De Montalk, G.P, Remaud-Simeon, M, Sarcabal, P, Willemot, R.-M, Monsan, P, Gajhede, M. | Deposit date: | 2000-10-31 | Release date: | 2001-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Amylosucrase, A Glucan-synthesizing Enzyme from the alpha-Amylase Family J.Biol.Chem., 276, 2001
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