8W9G
| Hepatitis B virus core protein Y132A mutant in complex with CBT-078 | Descriptor: | 2-fluoranyl-N1-(4-fluorophenyl)-N3-(2-methylphenyl)benzene-1,3-dicarboxamide, Capsid protein | Authors: | Iwasaki, W, Katsura, K, Tomabechi, Y, Niwa, H, Ogawa, K, Kojima, S, Shirouzu, M. | Deposit date: | 2023-09-05 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Screening systems for the detection of hepatitis B virus replication and capsid assembly To Be Published
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1WMB
| Crystal structure of NAD dependent D-3-hydroxybutylate dehydrogenase | Descriptor: | CACODYLATE ION, D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION | Authors: | Ito, K, Nakajima, Y, Ichihara, E, Ogawa, K, Yoshimoto, T. | Deposit date: | 2004-07-06 | Release date: | 2005-09-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | d-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme J.Mol.Biol., 355, 2006
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1X1T
| Crystal Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi Complexed with NAD+ | Descriptor: | CACODYLATE ION, D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION, ... | Authors: | Ito, K, Nakajima, Y, Ichihara, E, Ogawa, K, Yoshimoto, T. | Deposit date: | 2005-04-13 | Release date: | 2006-01-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | d-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme J.Mol.Biol., 355, 2006
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3W0D
| Structure of elastase inhibitor AFUEI (cyrstal form I) | Descriptor: | Elastase inhibitor AFUEI | Authors: | Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M. | Deposit date: | 2012-10-29 | Release date: | 2013-05-15 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus J.Biol.Chem., 288, 2013
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3W0E
| Structure of elastase inhibitor AFUEI (crystal form II) | Descriptor: | Elastase inhibitor AFUEI | Authors: | Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M. | Deposit date: | 2012-10-29 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus J.Biol.Chem., 288, 2013
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6LCQ
| Crystal structure of rice defensin OsAFP1 | Descriptor: | Defensin-like protein CAL1, PHOSPHATE ION | Authors: | Ochiai, A, Ogawa, K, Fukuda, M, Suzuki, M, Ito, K, Tanaka, T, Sagehashi, Y, Taniguchi, M. | Deposit date: | 2019-11-19 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure of rice defensin OsAFP1 and molecular insight into lipid-binding. J.Biosci.Bioeng., 130, 2020
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5YAE
| Ferulic acid esterase from Streptomyces cinnamoneus at 2.4 A resolution | Descriptor: | ACETATE ION, Esterase, SULFATE ION | Authors: | Tamura, H, Uraji, M, Mizohata, E, Ogawa, K, Inoue, T, Hatanaka, T. | Deposit date: | 2017-08-31 | Release date: | 2017-12-06 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Loop of Streptomyces Feruloyl Esterase Plays an Important Role in the Enzyme's Catalyzing the Release of Ferulic Acid from Biomass. Appl. Environ. Microbiol., 84, 2018
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5YAL
| Ferulic acid esterase from Streptomyces cinnamoneus at 1.5 A resolution | Descriptor: | ACETATE ION, Esterase, GLYCEROL, ... | Authors: | Tamura, H, Uraji, M, Mizohata, E, Ogawa, K, Inoue, T, Hatanaka, T. | Deposit date: | 2017-09-01 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Loop of Streptomyces Feruloyl Esterase Plays an Important Role in the Enzyme's Catalyzing the Release of Ferulic Acid from Biomass. Appl. Environ. Microbiol., 84, 2018
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6P4V
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6PGR
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7YV1
| Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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7YUZ
| Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | Descriptor: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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5VAD
| Crystal structure of human Prolyl-tRNA synthetase (PRS) in complex with inhibitor | Descriptor: | 3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | Authors: | Okada, K, Skene, R.J. | Deposit date: | 2017-03-24 | Release date: | 2017-05-31 | Last modified: | 2017-06-07 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Discovery of a novel prolyl-tRNA synthetase inhibitor and elucidation of its binding mode to the ATP site in complex with l-proline. Biochem. Biophys. Res. Commun., 488, 2017
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4FXC
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3APC
| Crystal structure of human PI3K-gamma in complex with CH5132799 | Descriptor: | 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | Deposit date: | 2010-10-14 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.544 Å) | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799 Bioorg.Med.Chem.Lett., 21, 2011
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3APD
| Crystal structure of human PI3K-gamma in complex with CH5108134 | Descriptor: | 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | Deposit date: | 2010-10-14 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799 Bioorg.Med.Chem.Lett., 21, 2011
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3APF
| Crystal structure of human PI3K-gamma in complex with CH5039699 | Descriptor: | 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | Deposit date: | 2010-10-14 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799 Bioorg.Med.Chem.Lett., 21, 2011
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5AYF
| Crystal structure of SET7/9 in complex with cyproheptadine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S. | Deposit date: | 2015-08-20 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription J.Med.Chem., 59, 2016
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