6IZM
 
 | | Crystal structure of the PPARgamma-LBD complexed with compound 1l | | Descriptor: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2018-12-20 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
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1V1B
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2CNP
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3WH6
 | | Crystal structure of GH1 beta-glucosidase Td2F2 glucose complex | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SODIUM ION, alpha-D-glucopyranose, ... | | Authors: | Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K. | | Deposit date: | 2013-08-21 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
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3WH7
 | | Crystal structure of GH1 beta-glucosidase Td2F2 L-fucose complex | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SODIUM ION, beta-D-fucopyranose, ... | | Authors: | Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K. | | Deposit date: | 2013-08-21 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
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6U38
 | | PCSK9 in complex with a Fab and compound 8 | | Descriptor: | 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-21 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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3WH8
 | | Crystal structure of GH1 beta-glucosidase Td2F2 isofagomine complex | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ... | | Authors: | Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K. | | Deposit date: | 2013-08-21 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
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6U2N
 | | PCSK9 in complex with compound 4 | | Descriptor: | 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-20 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U36
 | | PCSK9 in complex with a Fab and compound 14 | | Descriptor: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-21 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U3X
 | | PCSK9 in complex with compound 2 | | Descriptor: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-22 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U26
 | | PCSK9 in complex with compound 16 | | Descriptor: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2019-08-19 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U2P
 | | PCSK9 in complex with compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-20 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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3Q2Z
 | | Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-L-aspartic acid | | Descriptor: | N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid, PHOSPHATE ION, Squalene synthase | | Authors: | Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H. | | Deposit date: | 2010-12-21 | | Release date: | 2011-12-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
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3Q30
 | | Human Squalene synthase in complex with (2R,3R)-2-Carboxymethoxy-3-[5-(2-naphthalenyl)pentyl]aminocarbonyl-3-[5-(2-naphthalenyl)pentyloxy]propionic acid | | Descriptor: | (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H. | | Deposit date: | 2010-12-21 | | Release date: | 2011-12-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
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3H1V
 | | Human glucokinase in complex with a synthetic activator | | Descriptor: | 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ... | | Authors: | Kamata, K, Takahashi, K. | | Deposit date: | 2009-04-14 | | Release date: | 2009-10-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators.
Bioorg.Med.Chem., 17, 2009
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2RVD
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3ABQ
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1IDM
 | | 3-ISOPROPYLMALATE DEHYDROGENASE, LOOP-DELETED CHIMERA | | Descriptor: | 3-ISOPROPYLMALATE DEHYDROGENASE | | Authors: | Sakurai, M, Ohzeki, M, Moriyama, H, Sato, M, Tanaka, N. | | Deposit date: | 1995-05-19 | | Release date: | 1995-09-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a loop-deleted variant of 3-isopropylmalate dehydrogenase from Thermus thermophilus: an internal reprieve tolerance mechanism.
Acta Crystallogr.,Sect.D, 52, 1996
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8YXA
 | | Crystal structure of the HSA complex with cefazolin and myristate | | Descriptor: | (6~{R},7~{R})-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, MYRISTIC ACID, Serum albumin | | Authors: | Kawai, A. | | Deposit date: | 2024-04-02 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Interaction of Cephalosporins with Human Serum Albumin: A Structural Study.
J.Med.Chem., 67, 2024
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8YXB
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8YSB
 | | Crystal structure of DynA1, a putative monoxygenase from Mivromonospora chersina. | | Descriptor: | Predicted ester cyclase | | Authors: | Yan, X.F, Huang, H.W, Gao, Y.G, Liang, Z.X. | | Deposit date: | 2024-03-22 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An Enzymatic Oxidation Cascade Converts delta-Thiolactone Anthracene to Anthraquinone in the Biosynthesis of Anthraquinone-Fused Enediynes.
Jacs Au, 4, 2024
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3LMP
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | | Descriptor: | (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2010-01-31 | | Release date: | 2010-04-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
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5H2B
 | | Structure of a novel antibody G196 | | Descriptor: | G196 antibody Heavy chain, G196 antibody Light chain | | Authors: | Park, S.Y, Sugiyama, K. | | Deposit date: | 2016-10-14 | | Release date: | 2017-03-22 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | G196 epitope tag system: a novel monoclonal antibody, G196, recognizes the small, soluble peptide DLVPR with high affinity.
Sci Rep, 7, 2017
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1IPD
 | | THREE-DIMENSIONAL STRUCTURE OF A HIGHLY THERMOSTABLE ENZYME, 3-ISOPROPYLMALATE DEHYDROGENASE OF THERMUS THERMOPHILUS AT 2.2 ANGSTROMS RESOLUTION | | Descriptor: | 3-ISOPROPYLMALATE DEHYDROGENASE, SULFATE ION | | Authors: | Imada, K, Sato, M, Tanaka, N, Katsube, Y, Matsuura, Y, Oshima, T. | | Deposit date: | 1992-01-29 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Three-dimensional structure of a highly thermostable enzyme, 3-isopropylmalate dehydrogenase of Thermus thermophilus at 2.2 A resolution.
J.Mol.Biol., 222, 1991
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3FR0
 | | Human glucokinase in complex with 2-amino benzamide activator | | Descriptor: | 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide, Glucokinase, SODIUM ION, ... | | Authors: | Kamata, K. | | Deposit date: | 2009-01-08 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators
Bioorg.Med.Chem.Lett., 19, 2009
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