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4PV5
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Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid
分子名称: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Lactoylglutathione lyase, ZINC ION
著者Zhang, H, Zhai, J, Zhang, L.P, Zhao, Y.N, Li, C, Hu, X.P.
登録日2014-03-15
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for 18-beta-glycyrrhetinic acid as a novel non-GSH analog glyoxalase I inhibitor
Acta Pharmacol.Sin., 36, 2015
4GS8
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Structure analysis of cysteine free insulin degrading enzyme (ide) with compound bdm43079 [{[(s)-2-(1h-imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid
分子名称: Insulin-degrading enzyme, N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide, ZINC ION
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
登録日2012-08-27
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
3MO7
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Crystal structure of human orotidine 5'-monophosphate decarboxylase covalently modified by 2'-fluoro-6-iodo-UMP
分子名称: 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate), GLYCEROL, Uridine 5'-monophosphate synthase
著者Liu, Y, Kotra, L.P, Pai, E.F.
登録日2010-04-22
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Novel interactions of fluorinated nucleotide derivatives targeting orotidine 5'-monophosphate decarboxylase.
J.Med.Chem., 54, 2011
3MS4
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Glycogen phosphorylase complexed with 4-trifluoromethylbenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-{[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
5ICV
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BU of 5icv by Molmil
Crystal structure of human NatF (hNaa60) bound to a bisubstrate analogue
分子名称: MET-LYS-ALA-VAL-LIG, N-alpha-acetyltransferase 60, [5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
著者Stove, S.I, Magin, R.S, Marmorstein, R, Arnesen, T.
登録日2016-02-23
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal Structure of the Golgi-Associated Human N alpha-Acetyltransferase 60 Reveals the Molecular Determinants for Substrate-Specific Acetylation.
Structure, 24, 2016
7DA5
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BU of 7da5 by Molmil
Cryo-EM structure of the human MCT1 D309N mutant in complex with Basigin-2 in the inward-open conformation.
分子名称: Basigin, Monocarboxylate transporter 1
著者Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
登録日2020-10-14
公開日2020-12-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
3VHT
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BU of 3vht by Molmil
Crystal structure of GFP-Wrnip1 UBZ domain fusion protein in complex with ubiquitin
分子名称: Green fluorescent protein, Green fluorescent protein,ATPase WRNIP1, Ubiquitin, ...
著者Suzuki, N, Wakatsuki, S, Kawasaki, M.
登録日2011-09-06
公開日2012-10-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel mode of ubiquitin recognition by the ubiquitin-binding zinc finger domain of WRNIP1.
Febs J., 2016
7RW2
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Cryo-EM structure of NTD-directed neutralizing antibody 5-7 in complex with prefusion SARS-CoV-2 spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-7 heavy chain, ...
著者Cerutti, G, Shapiro, L.
登録日2021-08-19
公開日2021-09-01
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Neutralizing antibody 5-7 defines a distinct site of vulnerability in SARS-CoV-2 spike N-terminal domain.
Cell Rep, 37, 2021
3VA8
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Crystal structure of enolase FG03645.1 (target EFI-502278) from Gibberella zeae PH-1 complexed with magnesium, formate and sulfate
分子名称: FORMIC ACID, MAGNESIUM ION, PROBABLE DEHYDRATASE, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-12-29
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of dehydratase FG03645.1 from Gibberella zeae PH-1
To be Published
7RY8
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S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole
分子名称: Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
登録日2021-08-24
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
3VM5
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BU of 3vm5 by Molmil
Recombinant medaka fish alpha-amylase expressed in yeast Pichia pastoris
分子名称: CALCIUM ION, CHLORIDE ION, alpha-amylase
著者Mizutani, K, Toyoda, M, Mikami, B.
登録日2011-12-08
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural and functional characterization of recombinant medaka fish alpha-amylase expressed in yeast Pichia pastoris.
Biochim.Biophys.Acta, 1824, 2012
4POT
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BU of 4pot by Molmil
Structure of Human Polyomavirus 9 VP1 pentamer in complex with N-glycolylneuraminic acid containing 3'-sialyllactosamine
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, ISOPROPYL ALCOHOL, ...
著者Khan, Z.M, Stehle, T.
登録日2014-02-26
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic and glycan microarray analysis of human polyomavirus 9 VP1 identifies N-glycolyl neuraminic acid as a receptor candidate.
J.Virol., 88, 2014
3VT4
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BU of 3vt4 by Molmil
Crystal structures of rat VDR-LBD with R270L mutation
分子名称: (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
著者Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
登録日2012-05-19
公開日2013-05-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3VS9
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BU of 3vs9 by Molmil
Crystal structure of type III PKS ArsC mutant
分子名称: SODIUM ION, TETRAETHYLENE GLYCOL, Type III polyketide synthase
著者Satou, R, Miyanaga, A, Ozawa, H, Funa, N, Miyazono, K, Tanokura, M, Ohnishi, Y, Horinouchi, S.
登録日2012-04-23
公開日2013-04-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis for cyclization specificity of two Azotobacter type III polyketide synthases: a single amino acid substitution reverses their cyclization specificity
J.Biol.Chem., 288, 2013
4GG6
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Protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ...
著者Broughton, S.E, Theodossis, A, Petersen, J, Reid, H.H, Rossjohn, J.
登録日2012-08-06
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Biased T cell receptor usage directed against human leukocyte antigen DQ8-restricted gliadin peptides is associated with celiac disease.
Immunity, 37, 2012
5HL1
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BU of 5hl1 by Molmil
Crystal structure of glutaminase C in complex with inhibitor CB-839
分子名称: 2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2016-01-14
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the clinically relevant glutaminase inhibitot CB-839 in complex with glutaminase C
To Be Published
3VD0
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BU of 3vd0 by Molmil
structure of p73 DNA binding domain tetramer modulates p73 transactivation
分子名称: DNA (5'-D(*CP*AP*GP*GP*CP*AP*TP*GP*CP*CP*TP*G)-3'), Tumor protein p73, ZINC ION
著者Ethayathulla, A.S, Tse, P.W, Nguyen, S, Viadiu, H.
登録日2012-01-04
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of p73 DNA-binding domain tetramer modulates p73 transactivation.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VGY
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BU of 3vgy by Molmil
Structure of HIV-1 gp41 NHR/fusion inhibitor complex P321
分子名称: CP32M, Envelope glycoprotein gp160, SULFATE ION
著者Yao, X, Waltersperger, S, Wang, M.T, Cui, S.
登録日2011-08-22
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献Structural basis of potent and broad HIV-1 fusion inhibitor CP32M
J.Biol.Chem., 287, 2012
4POJ
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BU of 4poj by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 7-methyl UAB30 and the coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Smith, C.D, Muccio, D.D.
登録日2014-02-25
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
3VHL
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Crystal structure of the DHR-2 domain of DOCK8 in complex with Cdc42 (T17N mutant)
分子名称: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 8, PHOSPHATE ION
著者Hanawa-Suetsugu, K, Kukimoto-Niino, M, Nishizak, T, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S.
登録日2011-08-26
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献DOCK8 is a Cdc42 activator critical for interstitial dendritic cell migration during immune responses.
Blood, 119, 2012
4PKG
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BU of 4pkg by Molmil
Complex of ATP-actin With the N-terminal Actin-Binding Domain of Tropomodulin
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Rao, J.N, Dominguez, R.
登録日2014-05-14
公開日2014-07-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Actin cytoskeleton. Mechanism of actin filament pointed-end capping by tropomodulin.
Science, 345, 2014
3VRS
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Crystal structure of fluoride riboswitch, soaked in Mn2+
分子名称: FLUORIDE ION, Fluoride riboswitch, MANGANESE (II) ION, ...
著者Ren, A.M, Rajashankar, K.R, Patel, D.J.
登録日2012-04-13
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
3VSO
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Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt21
分子名称: (2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H.
登録日2012-04-30
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of a series of alpha-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility
Bioorg.Med.Chem., 21, 2013
2RGH
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Structure of Alpha-Glycerophosphate Oxidase from Streptococcus sp.: A Template for the Mitochondrial Alpha-Glycerophosphate Dehydrogenase
分子名称: Alpha-Glycerophosphate Oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Colussi, T, Boles, W, Mallett, T.C, Karplus, P.A, Claiborne, A.
登録日2007-10-01
公開日2008-01-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of alpha-glycerophosphate oxidase from Streptococcus sp.: a template for the mitochondrial alpha-glycerophosphate dehydrogenase.
Biochemistry, 47, 2008
3VEA
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BU of 3vea by Molmil
Crystal Structure of matP-matS23mer
分子名称: 5'-D(*AP*GP*TP*TP*CP*GP*TP*GP*AP*CP*AP*AP*TP*GP*TP*CP*AP*CP*GP*AP*AP*CP*T)-3', 5'-D(*AP*GP*TP*TP*CP*GP*TP*GP*AP*CP*AP*TP*TP*GP*TP*CP*AP*CP*GP*AP*AP*CP*T)-3', Macrodomain Ter protein
著者Schumacher, M.A.
登録日2012-01-07
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular basis for a protein-mediated DNA-bridging mechanism that functions in condensation of the E. coli chromosome.
Mol.Cell, 48, 2012

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