3RFR
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7OM8
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3RGB
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3RJ6
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3RJN
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4HRX
| Crystal structure of KAI2 | Descriptor: | Hydrolase, alpha/beta fold family protein | Authors: | Bythell-Douglas, R, Waters, M.T, Scaffidi, A, Flematti, G.R, Smith, S.M, Bond, C.S. | Deposit date: | 2012-10-29 | Release date: | 2013-02-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The Structure of the Karrikin-Insensitive Protein (KAI2) in Arabidopsis thaliana Plos One, 8, 2013
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4HRY
| The structure of Arabidopsis thaliana KAI2 | Descriptor: | CHLORIDE ION, GLYCEROL, Hydrolase, ... | Authors: | Bythell-Douglas, R, Waters, M.T, Scaffidi, A, Flematti, G.R, Smith, S.M, Bond, C.S. | Deposit date: | 2012-10-29 | Release date: | 2013-02-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Structure of the Karrikin-Insensitive Protein (KAI2) in Arabidopsis thaliana Plos One, 8, 2013
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4HTA
| The structure of the karrikin insensitive (KAI2) protein in Arabidopsis thaliana | Descriptor: | GLYCEROL, Hydrolase, alpha/beta fold family protein, ... | Authors: | Bythell-Douglas, R, Waters, M.T, Scaffidi, A, Flematti, G.R, Smith, S.M, Bond, C.S. | Deposit date: | 2012-11-01 | Release date: | 2013-02-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | The Structure of the Karrikin-Insensitive Protein (KAI2) in Arabidopsis thaliana Plos One, 8, 2013
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1TXO
| Crystal structure of the Mycobacterium tuberculosis serine/threonine phosphatase PstP/Ppp at 1.95 A. | Descriptor: | MANGANESE (II) ION, Putative Bacterial Enzyme | Authors: | Pullen, K.E, Ng, H.L, Sung, P.Y, Good, M.C, Smith, S.M, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-07-05 | Release date: | 2004-11-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An Alternate Conformation and a Third Metal in PstP/Ppp, the M. tuberculosis PP2C-Family Ser/Thr Protein Phosphatase. Structure, 12, 2004
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2C7Y
| plant enzyme | Descriptor: | 3-KETOACYL-COA THIOLASE 2 | Authors: | Sundaramoorthy, R, Micossi, E, Alphey, M.S, Germain, V, Bryce, J.H, Smith, S.M, Leonard, G.A, Hunter, W.N. | Deposit date: | 2005-11-30 | Release date: | 2006-05-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of a Plant 3-Ketoacyl-Coa Thiolase Reveals the Potential for Redox Control of Peroxisomal Fatty Acid Beta-Oxidation. J.Mol.Biol., 359, 2006
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8DI4
| Discovery of MK-8189, a highly potent and selective PDE10A inhibitor for the treatment of schizophrenia | Descriptor: | 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Hayes, R.P, Yan, Y. | Deposit date: | 2022-06-28 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.016 Å) | Cite: | Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia. J.Med.Chem., 66, 2023
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4TWV
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4TWU
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6B97
| Crystal structure of PDE2 in complex with complex 9 | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2017-10-10 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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6B98
| PDE2 in complex with compound 1 | Descriptor: | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Lu, J. | Deposit date: | 2017-10-10 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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6B96
| Crystal Structure of PDE2 in complex with compound 16 | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2017-10-10 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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4ZO5
| PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione | Descriptor: | 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-05-06 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5C1W
| PDE10 complexed with 4,6-dichloro-2-cyclopropyl-5-methyl-pyrimidine | Descriptor: | 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine, MAGNESIUM ION, ZINC ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-06-15 | Release date: | 2015-09-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
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8QQ7
| Structure of SpNOX: a Bacterial NADPH oxidase | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-binding FR-type domain-containing protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Thepaut, M, Petit-Hartlein, I, Vermot, A, Chaptal, V, Humm, A.S, Dupeux, F, Marquez, J.A, Smith, S, Fieschi, F. | Deposit date: | 2023-10-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX. Elife, 13, 2024
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8QQ5
| Structure of WT SpNox DH domain: a bacterial NADPH oxidase. | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase | Authors: | Thepaut, M, Petit-Hartlein, I, Vermot, A, Humm, A.S, Dupeux, F, Marquez, J.A, Smith, S, Fieschi, F. | Deposit date: | 2023-10-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX. Elife, 13, 2024
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4NS2
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1C58
| CRYSTAL STRUCTURE OF CYCLOAMYLOSE 26 | Descriptor: | Cyclohexacosakis-(1-4)-(alpha-D-glucopyranose) | Authors: | Gessler, K, Saenger, W, Nimz, O. | Deposit date: | 1999-11-04 | Release date: | 1999-11-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | V-Amylose at atomic resolution: X-ray structure of a cycloamylose with 26 glucose residues (cyclomaltohexaicosaose). Proc.Natl.Acad.Sci.USA, 96, 1999
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6CYC
| PDE2 in complex with compound 5 | Descriptor: | 1,2-ETHANEDIOL, 3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2018-04-05 | Release date: | 2018-09-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
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6CYB
| PDE2 in complex with compound 7 | Descriptor: | 1,2-ETHANEDIOL, 3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2018-04-05 | Release date: | 2018-09-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
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6CYD
| PDE2 in complex with compound 7 | Descriptor: | 1,2-ETHANEDIOL, 3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2018-04-05 | Release date: | 2018-09-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
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