5WQX
| Covalent bond formation of synthetic ligand with hPPARg-LBD | Descriptor: | 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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5WR0
| Huisgen cycloaddition for PPARg-LBD labeling by soaking method | Descriptor: | (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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5WR1
| Covalent bond formation of bifunctional ligand with hPPARg-LBD | Descriptor: | 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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8HHQ
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8HHP
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6JEY
| Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD | Descriptor: | (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Yamamoto, K, Itoh, T. | Deposit date: | 2019-02-07 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
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6JF0
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6JEZ
| Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization | Descriptor: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Kojima, H, Yamamoto, K, Itoh, T. | Deposit date: | 2019-02-07 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
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5XE9
| Crystal Structure of the Complex of the Peptidase Domain of Streptococcus mutans ComA with a Small Molecule Inhibitor. | Descriptor: | Putative ABC transporter, ATP-binding protein ComA, [(1~{S},2~{R},4~{S},5~{R})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{N}-propylcarbamate | Authors: | Ishii, S, Fukui, K, Yokoshima, S, Kumagai, K, Beniyama, Y, Kodama, T, Fukuyama, T, Okabe, T, Nagano, T, Kojima, H, Yano, T. | Deposit date: | 2017-04-03 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | High-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway Sci Rep, 7, 2017
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5XE8
| Crystal Structure of the Peptidase Domain of Streptococcus mutans ComA | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative ABC transporter, ATP-binding protein ComA | Authors: | Ishii, S, Fukui, K, Yokoshima, S, Kumagai, K, Beniyama, Y, Kodama, T, Fukuyama, T, Okabe, T, Nagano, T, Kojima, H, Yano, T. | Deposit date: | 2017-04-03 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | High-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway Sci Rep, 7, 2017
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4WUA
| Crystal structure of human SRPK1 complexed to an inhibitor SRPIN340 | Descriptor: | CITRIC ACID, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide, SRSF protein kinase 1, ... | Authors: | Hoshina, M, Ikura, T, Hosoya, T, Hagiwara, M, Ito, N. | Deposit date: | 2014-10-31 | Release date: | 2015-09-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a Dual Inhibitor of SRPK1 and CK2 That Attenuates Pathological Angiogenesis of Macular Degeneration in Mice Mol.Pharmacol., 88, 2015
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7EVT
| Crystal structure of the N-terminal degron-truncated human glutamine synthetase | Descriptor: | Glutamine synthetase | Authors: | Chek, M.F, Kim, S.Y, Mori, T, Hakoshima, T. | Deposit date: | 2021-05-22 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of N-terminal degron-truncated human glutamine synthetase. Acta Crystallogr.,Sect.F, 77, 2021
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5WQJ
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5WQK
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4ZY3
| Crystal Structure of Keap1 in Complex with a small chemical compound, K67 | Descriptor: | FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide) | Authors: | Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M. | Deposit date: | 2015-05-21 | Release date: | 2016-05-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming Nat Commun, 7, 2016
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8J6N
| Crystal structure of Cystathionine gamma-lyase in complex with compound 1 | Descriptor: | 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ... | Authors: | Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K. | Deposit date: | 2023-04-26 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation. Sci Rep, 13, 2023
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3UIX
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3UMW
| Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one | Descriptor: | (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ... | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2011-11-14 | Release date: | 2012-10-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound. J.Med.Chem., 55, 2012
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7EBT
| Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in glutathione-bound form | Descriptor: | CALCIUM ION, GLUTATHIONE, Glutathione transferase | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | Deposit date: | 2021-03-11 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti. Bmc Biol., 20, 2022
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7EBW
| Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in desmethylglycitein and glutathione-bound form | Descriptor: | 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ... | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | Deposit date: | 2021-03-11 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti. Bmc Biol., 20, 2022
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7EBV
| Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in luteolin- and glutathione-bound form | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ... | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | Deposit date: | 2021-03-11 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti. Bmc Biol., 20, 2022
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7EBU
| Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in Daidzein- and glutathione-bound form | Descriptor: | 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ... | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | Deposit date: | 2021-03-11 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti. Bmc Biol., 20, 2022
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3WAW
| Crystal Structure of Autotaxin in Complex with 2BoA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-05-09 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe Acs Chem.Biol., 8, 2013
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3WAY
| Crystal Structure of Autotaxin in Complex with 4BoA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-05-09 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe Acs Chem.Biol., 8, 2013
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3WAX
| Crystal Structure of Autotaxin in Complex with 3BoA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-05-09 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe Acs Chem.Biol., 8, 2013
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