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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
分子名称: (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, ...
著者Kojima, H, Yamamoto, K, Itoh, T.
登録日2019-02-07
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 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
著者Kojima, H, Yamamoto, K, Itoh, T.
登録日2019-02-07
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
6IQ5
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BU of 6iq5 by Molmil
Crystal Structure of CYP1B1 and Inhibitor Having Azide Group
分子名称: 2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE
著者Kubo, M, Yamamoto, K, Itoh, T.
登録日2018-11-06
公開日2019-01-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Design and synthesis of selective CYP1B1 inhibitor via dearomatization of alpha-naphthoflavone.
Bioorg. Med. Chem., 27, 2019
3AIH
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BU of 3aih by Molmil
Human OS-9 MRH domain complexed with alpha3,alpha6-Man5
分子名称: Protein OS-9, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose
著者Satoh, T, Chen, Y, Hu, D, Hanashima, S, Yamamoto, K, Yamaguchi, Y.
登録日2010-05-14
公開日2010-12-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Oligosaccharide Recognition of Misfolded Glycoproteins by OS-9 in ER-Associated Degradation
Mol.Cell, 40, 2010
3AFR
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BU of 3afr by Molmil
Crystal Structure of VDR-LBD/22S-Butyl-1a,24R-dihydroxyvitamin D3 complex
分子名称: (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Inaba, Y, Nakabayashi, M, Itoh, T, Ikura, T, Ito, N, Yamamoto, K.
登録日2010-03-10
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献22S-Butyl-1alpha,24R-dihydroxyvitamin D(3): Recovery of vitamin D receptor agonistic activity
J.Steroid Biochem.Mol.Biol., 121, 2010
2EAE
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BU of 2eae by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum in complexes with products
分子名称: Alpha-fucosidase, CALCIUM ION, alpha-L-fucopyranose, ...
著者Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
登録日2007-01-31
公開日2007-04-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
2EAB
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BU of 2eab by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum (apo form)
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-fucosidase, ...
著者Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
登録日2007-01-31
公開日2007-04-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
2EAC
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BU of 2eac by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum in complex with deoxyfuconojirimycin
分子名称: (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, Alpha-fucosidase, CALCIUM ION
著者Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
登録日2007-01-31
公開日2007-04-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
2EAD
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BU of 2ead by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum in complex with substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-fucosidase, CALCIUM ION, ...
著者Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
登録日2007-01-31
公開日2007-04-24
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
9B71
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BU of 9b71 by Molmil
Cryo-EM structure of MraY in complex with analogue 3
分子名称: (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[4-[[[(2~{S})-5-carbamimidamido-2-(hexadecanoylamino)pentanoyl]amino]methyl]phenyl]methylamino]propanoic acid, MraYAA Nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
著者Hao, A, Lee, S.-Y.
登録日2024-03-26
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
9B70
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BU of 9b70 by Molmil
Cryo-EM structure of MraY in complex with analogue 2
分子名称: (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-[[3-[[[(2~{S})-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]methyl]phenyl]methylamino]-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
著者Hao, A, Lee, S.-Y.
登録日2024-03-26
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
6JXJ
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BU of 6jxj by Molmil
Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Abe, K, Irie, K.
登録日2019-04-23
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
6JXH
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BU of 6jxh by Molmil
K+-bound E2-MgF state of the gastric proton pump (Tyr799Trp)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Abe, K, Irie, K.
登録日2019-04-23
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
6JXI
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BU of 6jxi by Molmil
Rb+-bound E2-MgF state of the gastric proton pump (Tyr799Trp)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Abe, K, Irie, K.
登録日2019-04-23
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
4JAW
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BU of 4jaw by Molmil
Crystal Structure of Lacto-N-Biosidase from Bifidobacterium bifidum complexed with LNB-thiazoline
分子名称: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Lacto-N-biosidase, SULFATE ION, ...
著者Ito, T, Katayama, T, Stubbs, K.A, Fushinobu, S.
登録日2013-02-19
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of a glycoside hydrolase family 20 lacto-N-biosidase from Bifidobacterium bifidum
J.Biol.Chem., 288, 2013
3UMV
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BU of 3umv by Molmil
Eukaryotic Class II CPD photolyase structure reveals a basis for improved UV-tolerance in plants
分子名称: 1,2-ETHANEDIOL, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Arvai, A.S, Hitomi, K, Getzoff, E.D, Tainer, J.A.
登録日2011-11-14
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Eukaryotic Class II Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals Basis for Improved Ultraviolet Tolerance in Plants.
J.Biol.Chem., 287, 2012
7V4F
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BU of 7v4f by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
分子名称: (2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid, Beta-hydroxylase, CARBON DIOXIDE, ...
著者Li, T.L, Saeid, M.Z.
登録日2021-08-13
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
8CXR
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BU of 8cxr by Molmil
Crystal structure of MraY bound to a sphaerimicin analogue
分子名称: (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
著者Mashalidis, E.H, Lee, S.Y.
登録日2022-05-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Synthesis of macrocyclic nucleoside antibacterials and their interactions with MraY.
Nat Commun, 13, 2022
6T9C
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BU of 6t9c by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a)
分子名称: 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D.
登録日2019-10-27
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights into PPAR gamma Phosphorylation and Its Inhibition Mechanism.
J.Med.Chem., 63, 2020
5B3T
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BU of 5b3t by Molmil
Crystal structure of apo-form biliverdin reductase from Synechocystis sp. PCC 6803
分子名称: Biliverdin reductase, PHOSPHATE ION
著者Takao, H, Wada, K.
登録日2016-03-12
公開日2017-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
5B3V
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Crystal structure of biliverdin reductase in complex with biliverdin and NADP+ from Synechocystis sp. PCC 6803
分子名称: BILIVERDINE IX ALPHA, Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Takao, H, Wada, K.
登録日2016-03-13
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
5B3U
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BU of 5b3u by Molmil
Crystal structure of biliverdin reductase in complex with NADP+ from Synechocystis sp. PCC 6803
分子名称: Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
著者Takao, H, Wada, K.
登録日2016-03-13
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
2VV4
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BU of 2vv4 by Molmil
hPPARgamma Ligand binding domain in complex with 6-oxoOTE
分子名称: (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid, (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者Itoh, T, Fairall, L, Schwabe, J.W.R.
登録日2008-06-02
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
2VST
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BU of 2vst by Molmil
hPPARgamma Ligand binding domain in complex with 13-(S)-HODE
分子名称: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者Itoh, T, Fairall, L, Schwabe, J.W.R.
登録日2008-04-29
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
2VSR
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hPPARgamma Ligand binding domain in complex with 9-(S)-HODE
分子名称: (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者Itoh, T, Fairall, L, Schwabe, J.W.R.
登録日2008-04-29
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008

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