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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3FW5
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3FW4
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6A56
 | | AJLec from the Sea Anemone Anthopleura japonica | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AJLec, CALCIUM ION, ... | | Authors: | Unno, H, Hatakeyama, T. | | Deposit date: | 2018-06-22 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Lectin AJLec from the Sea Anemone Anthopleura japonica.
Sci Rep, 8, 2018
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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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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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2ZTN
 | | Hepatitis E virus ORF2 (Genotype 3) | | Descriptor: | Capsid protein | | Authors: | Yamashita, T, Unno, H, Mori, Y, Li, T.C, Takeda, N, Matsuura, Y. | | Deposit date: | 2008-10-08 | | Release date: | 2009-08-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.56 Å) | | Cite: | Biological and immunological characteristics of hepatitis E virus-like particles based on the crystal structure
Proc.Natl.Acad.Sci.USA, 106, 2009
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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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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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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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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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5XAO
 | | Crystal structure of Phaeospaeria nodrum fructosyl peptide oxidase mutant Asn56Ala in complexes with sodium and chloride ions | | Descriptor: | ACETIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Yoshida, H, Kamitori, S, Sode, K. | | Deposit date: | 2017-03-14 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 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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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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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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2Z83
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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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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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3WGB
 | | Crystal structure of aeromonas jandaei L-allo-threonine aldolase | | Descriptor: | GLYCINE, L-allo-threonine aldolase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | | Authors: | Qin, H.M, Imai, F.L, Miyakawa, T, Kataoka, M, Okai, M, Ohtsuka, J, Hou, F, Nagata, K, Shimizu, S, Tanokura, M. | | Deposit date: | 2013-08-03 | | Release date: | 2014-07-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | L-allo-Threonine aldolase with an H128Y/S292R mutation from Aeromonas jandaei DK-39 reveals the structural basis of changes in substrate stereoselectivity.
Acta Crystallogr.,Sect.D, 70, 2014
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3WGC
 | | Aeromonas jandaei L-allo-threonine aldolase H128Y/S292R double mutant | | Descriptor: | L-allo-threonine aldolase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | | Authors: | Qin, H.M, Imai, F.L, Miyakawa, T, Kataoka, M, Okai, M, Ohtsuka, J, Hou, F, Nagata, K, Shimizu, S, Tanokura, M. | | Deposit date: | 2013-08-03 | | Release date: | 2014-07-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | L-allo-Threonine aldolase with an H128Y/S292R mutation from Aeromonas jandaei DK-39 reveals the structural basis of changes in substrate stereoselectivity.
Acta Crystallogr.,Sect.D, 70, 2014
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5XCO
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5B7V
 | | Human FGFR1 kinase in complex with CH5183284 | | Descriptor: | Fibroblast growth factor receptor 1, SULFATE ION, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone | | Authors: | Fukami, T.A, Lukacs, C.M, Janson, C. | | Deposit date: | 2016-06-09 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor
Mol.Cancer Ther., 13, 2014
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