2D0P
| Structure of diol dehydratase-reactivating factor in nucleotide free form | Descriptor: | CALCIUM ION, SULFATE ION, diol dehydratase-reactivating factor large subunit, ... | Authors: | Shibata, N, Mori, K, Hieda, N, Higuchi, Y, Yamanishi, M, Toraya, T. | Deposit date: | 2005-08-05 | Release date: | 2006-02-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Release of a damaged cofactor from a coenzyme B12-dependent enzyme: X-ray structures of diol dehydratase-reactivating factor Structure, 13, 2005
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2D0O
| Structure of diol dehydratase-reactivating factor complexed with ADP and Mg2+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Shibata, N, Mori, K, Hieda, N, Higuchi, Y, Yamanishi, M, Toraya, T. | Deposit date: | 2005-08-05 | Release date: | 2006-02-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Release of a damaged cofactor from a coenzyme B12-dependent enzyme: X-ray structures of diol dehydratase-reactivating factor Structure, 13, 2005
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8X6R
| KRasG12C in complex with inhibitor | Descriptor: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2023-11-21 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors. Bioorg.Med.Chem., 98, 2023
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4YNU
| Crystal structure of Aspergillus flavus FADGDH in complex with D-glucono-1,5-lactone | Descriptor: | D-glucono-1,5-lactone, FLAVIN-ADENINE DINUCLEOTIDE, Glucose oxidase, ... | Authors: | Yoshida, H, Sakai, G, Kojima, K, Kamitori, S, Sode, K. | Deposit date: | 2015-03-11 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural analysis of fungus-derived FAD glucose dehydrogenase Sci Rep, 5, 2015
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4YNT
| Crystal structure of Aspergillus flavus FAD glucose dehydrogenase | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Glucose oxidase, putative | Authors: | Yoshida, H, Sakai, G, Kojima, K, Kamitori, S, Sode, K. | Deposit date: | 2015-03-11 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural analysis of fungus-derived FAD glucose dehydrogenase Sci Rep, 5, 2015
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3ABQ
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3ABR
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3ABO
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3ABS
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5U7Q
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5U7R
| Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones | Descriptor: | (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one, Rho-associated protein kinase 2 | Authors: | Hoffman, I.D, Skene, R.J. | Deposit date: | 2016-12-12 | Release date: | 2017-03-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones. Bioorg. Med. Chem., 25, 2017
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3AUJ
| Structure of diol dehydratase complexed with glycerol | Descriptor: | CALCIUM ION, COBALAMIN, Diol dehydrase alpha subunit, ... | Authors: | Yamanishi, M, Kinoshita, K, Fukuoka, M, Shibata, T, Tobimatsu, T, Toraya, T. | Deposit date: | 2011-02-07 | Release date: | 2012-02-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Redesign of coenzyme B(12) dependent diol dehydratase to be resistant to the mechanism-based inactivation by glycerol and act on longer chain 1,2-diols Febs J., 279, 2012
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7CMM
| Crystal structure of TEAD1-YBD in complex with K-975 | Descriptor: | N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide, Transcriptional enhancer factor TEF-1 | Authors: | Tsuji, Y, Suzuki, M, Yasunaga, M, Hamguchi, K, Saito, J. | Deposit date: | 2020-07-28 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The novel potent TEAD inhibitor, K-975, inhibits YAP1/TAZ-TEAD protein-protein interactions and exerts an anti-tumor effect on malignant pleural mesothelioma. Am J Cancer Res, 10, 2020
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7YCC
| KRas G12C in complex with Compound 5c | Descriptor: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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7YCE
| KRas G12C in complex with Compound 7b | Descriptor: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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5T1F
| Crystal structure of Phaeospaeria nodrum fructosyl peptide oxidase mutant Asn56Ala | Descriptor: | ACETIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Uncharacterized protein | Authors: | Yoshida, H, Shimasaki, T, Kamitori, S, Sode, K. | Deposit date: | 2016-08-19 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | X-ray structures of fructosyl peptide oxidases revealing residues responsible for gating oxygen access in the oxidative half reaction Sci Rep, 7, 2017
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5T1E
| Crystal structure of Phaeospaeria nodrum fructosyl peptide oxidase | Descriptor: | ACETIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Uncharacterized protein | Authors: | Yoshida, H, Shimasaki, T, Kamitori, S, Sode, K. | Deposit date: | 2016-08-19 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | X-ray structures of fructosyl peptide oxidases revealing residues responsible for gating oxygen access in the oxidative half reaction Sci Rep, 7, 2017
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3FW5
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3FW4
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5YHS
| Pyruvylated beta-D-galactosidase from Bacillus sp. HMA207, apo form | Descriptor: | Pyruvylated beta-D-galactosidase | Authors: | Tanuma, M, Yamada, C, Arakawa, T, Higuchi, Y, Takegawa, K, Fushinobu, S. | Deposit date: | 2017-09-29 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification and characterization of a novel beta-D-galactosidase that releases pyruvylated galactose. Sci Rep, 8, 2018
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5YIF
| Pyruvylated beta-D-galactosidase from Bacillus sp. HMA207, E163A mutant pyruvylated beta-D-galactose complex | Descriptor: | (2R,4aR,6R,7R,8R,8aR)-2-methyl-6,7,8-tris(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid, Pyruvylated beta-D-galactosidase | Authors: | Tanuma, M, Yamada, C, Arakawa, T, Higuchi, Y, Takegawa, K, Fushinobu, S. | Deposit date: | 2017-10-04 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Identification and characterization of a novel beta-D-galactosidase that releases pyruvylated galactose. Sci Rep, 8, 2018
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6KS2
| Structure of anti-Ghrelin receptor antibody | Descriptor: | Fab7881 Heavy Chain (FabH), Fab7881 Light Chain (FabL) | Authors: | Shiimura, Y, Horita, S, Asada, H, Hirata, K, Iwata, S, Kojima, M. | Deposit date: | 2019-08-23 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.753 Å) | Cite: | Structure of an antagonist-bound ghrelin receptor reveals possible ghrelin recognition mode. Nat Commun, 11, 2020
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6KO5
| Complex structure of Ghrelin receptor with Fab | Descriptor: | 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one, Chimera of Soluble cytochrome b562 and Growth hormone secretagogue receptor type 1, Fab7881 Heavy Chain, ... | Authors: | Shiimura, Y, Horita, S, Asada, H, Hirata, K, Iwata, S, Kojima, M. | Deposit date: | 2019-08-08 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of an antagonist-bound ghrelin receptor reveals possible ghrelin recognition mode. Nat Commun, 11, 2020
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7BJV
| Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI09181 | Descriptor: | DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Browning, C, McEwen, A.G, Billas, I.M.L. | Deposit date: | 2021-01-14 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP. J Pestic Sci, 46, 2021
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7BJU
| Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI08346 | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, ... | Authors: | Browning, C, McEwen, A.G, Billas, I.M.L. | Deposit date: | 2021-01-14 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP. J Pestic Sci, 46, 2021
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