7OFC
 
 | | Keap1 kelch domain bound to a small molecule fragment | | 分子名称: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2021-05-04 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFB
 | | Keap1 kelch domain bound to a small molecule fragment | | 分子名称: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2021-05-04 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OF8
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2ATJ
 | | RECOMBINANT HORSERADISH PEROXIDASE COMPLEX WITH BENZHYDROXAMIC ACID | | 分子名称: | BENZHYDROXAMIC ACID, CALCIUM ION, PEROXIDASE C1A, ... | | 著者 | Henriksen, A, Schuller, D.J, Gajhede, M. | | 登録日 | 1997-08-19 | | 公開日 | 1998-01-28 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural interactions between horseradish peroxidase C and the substrate benzhydroxamic acid determined by X-ray crystallography.
Biochemistry, 37, 1998
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3BFT
 | | Structure of the ligand-binding core of GluR2 in complex with the agonist (S)-TDPA at 2.25 A resolution | | 分子名称: | (2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid, CACODYLATE ION, CHLORIDE ION, ... | | 著者 | Beich-Frandsen, M, Mirza, O, Vestergaard, B, Gajhede, M, Kastrup, J.S. | | 登録日 | 2007-11-23 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
J.Med.Chem., 51, 2008
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3BFU
 | | Structure of the ligand-binding core of GluR2 in complex with the agonist (R)-TDPA at 1.95 A resolution | | 分子名称: | (2R)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid, Glutamate receptor 2 | | 著者 | Beich-Frandsen, M, Mirza, O, Vestergaard, B, Gajhede, M, Kastrup, J.S. | | 登録日 | 2007-11-23 | | 公開日 | 2008-10-14 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
J.Med.Chem., 51, 2008
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8A7D
 | | Partial dimer complex of PAPP-A and its inhibitor STC2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Pappalysin-1, ... | | 著者 | Kobbero, S.D, Gajhede, M, Mirza, O.A, Boesen, T, Oxvig, C. | | 登録日 | 2022-06-20 | | 公開日 | 2022-11-02 | | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | | 主引用文献 | Structure of the proteolytic enzyme PAPP-A with the endogenous inhibitor stanniocalcin-2 reveals its inhibitory mechanism.
Nat Commun, 13, 2022
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8A7E
 | | PAPP-A dimer in complex with its inhibitor STC2 | | 分子名称: | CALCIUM ION, Pappalysin-1, Stanniocalcin-2, ... | | 著者 | Kobbero, S.D, Gajhede, M, Mirza, O.A, Boesen, T, Oxvig, C. | | 登録日 | 2022-06-20 | | 公開日 | 2022-11-02 | | 実験手法 | ELECTRON MICROSCOPY (5.02 Å) | | 主引用文献 | Structure of the proteolytic enzyme PAPP-A with the endogenous inhibitor stanniocalcin-2 reveals its inhibitory mechanism.
Nat Commun, 13, 2022
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2FPF
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2FPD
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2FPE
 | | Conserved dimerization of the ib1 src-homology 3 domain | | 分子名称: | C-jun-amino-terminal kinase interacting protein 1, HEXAETHYLENE GLYCOL, SULFATE ION, ... | | 著者 | Guenat, S, Dar, I, Bonny, C, Kastrup, J.S, Gajhede, M, Kristensen, O. | | 登録日 | 2006-01-16 | | 公開日 | 2006-02-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006
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1JG9
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1JGI
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2P2A
 | | X-ray structure of the GluR2 ligand binding core (S1S2J) in complex with 2-Bn-tet-AMPA at 2.26A resolution | | 分子名称: | 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID, GLUTAMIC ACID, Glutamate receptor 2, ... | | 著者 | Frydenvang, K, Kastrup, J.S, Gajhede, M. | | 登録日 | 2007-03-07 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
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1T6C
 | | Structural characterization of the Ppx/GppA protein family: crystal structure of the Aquifex aeolicus family member | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Kristensen, O, Laurberg, M, Liljas, A, Kastrup, J.S, Gajhede, M. | | 登録日 | 2004-05-06 | | 公開日 | 2004-08-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structural characterization of the stringent response related exopolyphosphatase/guanosine pentaphosphate phosphohydrolase protein family
Biochemistry, 43, 2004
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1T6D
 | | MIRAS phasing of the Aquifex aeolicus Ppx/GppA phosphatase: crystal structure of the type II variant | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, exopolyphosphatase | | 著者 | Kristensen, O, Laurberg, M, Liljas, A, Kastrup, J.S, Gajhede, M. | | 登録日 | 2004-05-06 | | 公開日 | 2004-08-03 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural characterization of the stringent response related exopolyphosphatase/guanosine pentaphosphate phosphohydrolase protein family
Biochemistry, 43, 2004
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4IGT
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the agonist ZA302 at 1.24A resolution | | 分子名称: | (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid, GLYCEROL, Glutamate receptor 2, ... | | 著者 | Larsen, A.P, Venskutonyte, R, Gajhede, M, Kastrup, J.S, Frydenvang, K. | | 登録日 | 2012-12-18 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters.
J.Med.Chem., 56, 2013
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4KFQ
 | | Crystal structure of the NMDA receptor GluN1 ligand binding domain in complex with 1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one | | 分子名称: | 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one, GLYCEROL, Glutamate receptor ionotropic, ... | | 著者 | Steffensen, T.B, Tabrizi, F.M, Gajhede, M, Kastrup, J.S. | | 登録日 | 2013-04-27 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure and pharmacological characterization of a novel N-methyl-D-aspartate (NMDA) receptor antagonist at the GluN1 glycine binding site.
J.Biol.Chem., 288, 2013
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2ANJ
 | | Crystal Structure of the Glur2 Ligand Binding Core (S1S2J-Y450W) Mutant in Complex With the Partial Agonist Kainic Acid at 2.1 A Resolution | | 分子名称: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2 | | 著者 | Holm, M.M, Naur, P, Vestergaard, B, Geballe, M.T, Gajhede, M, Kastrup, J.S, Traynelis, S.F, Egebjerg, J. | | 登録日 | 2005-08-11 | | 公開日 | 2005-08-30 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Binding Site Tyrosine Shapes Desensitization Kinetics and Agonist Potency at GluR2: a mutagenic, kinetic, and crystallographic study
J.Biol.Chem., 280, 2005
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4G8M
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the agonist CBG-IV at 2.05A resolution | | 分子名称: | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid, CHLORIDE ION, GLYCEROL, ... | | 著者 | Juknaite, L, Frydenvang, K, Kastrup, J.S, Gajhede, M. | | 登録日 | 2012-07-23 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Pharmacological and structural characterization of conformationally restricted (S)-glutamate analogues at ionotropic glutamate receptors.
J.Struct.Biol., 180, 2012
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1G5A
 | | AMYLOSUCRASE FROM NEISSERIA POLYSACCHAREA | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMYLOSUCRASE, ... | | 著者 | Skov, L.K, Mirza, O, Henriksen, A, De Montalk, G.P, Remaud-Simeon, M, Sarcabal, P, Willemot, R.-M, Monsan, P, Gajhede, M. | | 登録日 | 2000-10-31 | | 公開日 | 2001-10-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Amylosucrase, A Glucan-synthesizing Enzyme from the alpha-Amylase Family
J.Biol.Chem., 276, 2001
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4AYS
 | | The Structure of Amylosucrase from D. radiodurans | | 分子名称: | AMYLOSUCRASE | | 著者 | Skov, L.K, Pizzut, S, Remaud-Simeon, M, Gajhede, M, Mirza, O. | | 登録日 | 2012-06-21 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | The Structure of Amylosucrase from Deinococcus Radiodurans Has an Unusual Open Active-Site Topology
Acta Crystallogr.,Sect.F, 69, 2013
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3BBR
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3ZRT
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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 | | 分子名称: | (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, ... | | 著者 | Hald, H, Gajhede, M, Kastrup, J.S. | | 登録日 | 2009-04-24 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | 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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