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PDB: 10 results

6JEY
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BU of 6jey by Molmil
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
6JEZ
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BU of 6jez by Molmil
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
6JF0
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BU of 6jf0 by Molmil
Covalent labeling of hPPARg-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization
Descriptor: 7-methoxychromen-2-one, Peroxisome proliferator-activated receptor gamma, methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate
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 (3.4 Å)
Cite:Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
8HHP
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BU of 8hhp by Molmil
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Covalent Modifier Discovery by Hydrogen/Deuterium Exchange Mass Spectrometry (HDX-MS)
To Be Published
5WR1
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BU of 5wr1 by Molmil
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
5WQX
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BU of 5wqx by Molmil
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
5WR0
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BU of 5wr0 by Molmil
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
5XE9
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BU of 5xe9 by Molmil
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
5XE8
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BU of 5xe8 by Molmil
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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