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6SKH
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BU of 6skh by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp
分子名称: (2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Motlova, L, Novakova, Z, Barinka, C.
登録日2019-08-15
公開日2020-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
6JOZ
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BU of 6joz by Molmil
Crystal structure of BRLF peptide from EBV in complex with HLA-A1101.
分子名称: ALA-THR-ILE-GLY-THR-ALA-MET-TYR-LYS, Beta-2-microglobulin, GLYCEROL, ...
著者Huan, X, Xiao, Z, Tadwal, V.S, Ren, E.C.
登録日2019-03-25
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of suboptimal viral fragments of Epstein Barr Virus Rta peptide-HLA complex that stimulate CD8 T cell response.
Sci Rep, 9, 2019
5GRD
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BU of 5grd by Molmil
Crystal structure of 10-mer peptide from EBV in complex with HLA-A1101.
分子名称: Beta-2-microglobulin, Epstein Barr Virus, Latent membrane protein 2 epitope, ...
著者Tadwal, V.S, Xiao, Z, Ren, E.C.
登録日2016-08-10
公開日2017-08-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dual non-contiguous peptide occupancy of HLA class I evoke antiviral human CD8 T cell response and form neo-epitopes with self-antigens
Sci Rep, 7, 2017
6T0I
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BU of 6t0i by Molmil
The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with the aldotetrauronic acid XUX
分子名称: 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Mazurkewich, S, Navarro Poulsen, J.C, Larsbrink, J, Lo Leggio, L.
登録日2019-10-03
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components.
J.Biol.Chem., 294, 2019
5YJL
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BU of 5yjl by Molmil
Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with NADPH and GBP
分子名称: Glutamyl-tRNA reductase 1, Glutamyl-tRNA reductase-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhao, A, Han, F.
登録日2017-10-11
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Arabidopsis thaliana glutamyl-tRNAGlureductase in complex with NADPH and glutamyl-tRNAGlureductase binding protein
Photosyn. Res., 137, 2018
7B9V
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BU of 7b9v by Molmil
Yeast C complex spliceosome at 2.8 Angstrom resolution with Prp18/Slu7 bound
分子名称: 5' exon of UBC4 mRNA, BJ4_G0027490.mRNA.1.CDS.1, BJ4_G0054360.mRNA.1.CDS.1, ...
著者Wilkinson, M.E, Fica, S.M, Galej, W.P, Nagai, K.
登録日2020-12-14
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for conformational equilibrium of the catalytic spliceosome.
Mol.Cell, 81, 2021
2C0U
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BU of 2c0u by Molmil
Crystal Structure of a Covalent Complex of Nitroalkane Oxidase Trapped During Substrate Turnover
分子名称: (2S)-2-NITROBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, NITROALKANE OXIDASE
著者Nagpal, A, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
登録日2005-09-07
公開日2006-02-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Nitroalkane Oxidase: Insights Into the Reaction Mechanism from a Covalent Complex of the Flavoenzyme Trapped During Turnover.
Biochemistry, 45, 2006
7O2S
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BU of 7o2s by Molmil
Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni
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, Carbonic anhydrase, ...
著者Ferraroni, M, Angeli, A.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
1X7S
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BU of 1x7s by Molmil
The X-ray crystallographic structure of the amyloidogenic variant TTR Tyr78Phe
分子名称: Transthyretin
著者Neto-Silva, R.M, Macedo-Ribeiro, S, Pereira, P.J.B, Saraiva, M.J, Damas, A.M.
登録日2004-08-16
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray crystallographic studies of two transthyretin variants: further insights into amyloidogenesis.
Acta Crystallogr.,Sect.D, 61, 2005
2CA9
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BU of 2ca9 by Molmil
apo-NIKR from helicobacter pylori in closed trans-conformation
分子名称: FORMIC ACID, GLYCEROL, PUTATIVE NICKEL-RESPONSIVE REGULATOR
著者Dian, C, Schauer, K, Kapp, U, McSweeney, S.M, Labigne, A, Terradot, L.
登録日2005-12-20
公開日2006-07-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis of the Nickel Response in Helicobacter Pylori: Crystal Structures of Hpnikr in Apo and Nickel-Bound States.
J.Mol.Biol., 361, 2006
2CAD
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BU of 2cad by Molmil
NikR from Helicobacter pylori in closed trans-conformation and nickel bound to 2F, 2X and 2I sites.
分子名称: CITRIC ACID, FORMIC ACID, GLYCEROL, ...
著者Dian, C, Schauer, K, Kapp, U, McSweeney, S.M, Labigne, A, Terradot, L.
登録日2005-12-20
公開日2006-07-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of the Nickel Response in Helicobacter Pylori: Crystal Structures of Hpnikr in Apo and Nickel-Bound States.
J.Mol.Biol., 361, 2006
6HOD
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BU of 6hod by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44848
分子名称: 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
1C9D
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BU of 1c9d by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
分子名称: 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Lolis, E, Sachpatzidis, A.
登録日1999-08-02
公開日1999-12-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
1C8V
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BU of 1c8v by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-BUTYLPHOSPHONIC ACID
分子名称: 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E.
登録日1999-07-30
公開日2000-01-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
5UF5
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BU of 5uf5 by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer)
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
1X7T
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BU of 1x7t by Molmil
Structure of TTR R104H: a non-amyloidogenic variant with protective clinical effects
分子名称: Transthyretin
著者Neto-Silva, R.M, Macedo-Ribeiro, S, Pereira, P.J.B, Coll, M, Saraiva, M.J, Damas, A.M.
登録日2004-08-16
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray crystallographic studies of two transthyretin variants: further insights into amyloidogenesis.
Acta Crystallogr.,Sect.D, 61, 2005
6HNX
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BU of 6hnx by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM35133
分子名称: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO1
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BU of 6ho1 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41974
分子名称: GLYCEROL, HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO5
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BU of 6ho5 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44719
分子名称: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HOB
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BU of 6hob by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44831
分子名称: 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
1XA8
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BU of 1xa8 by Molmil
Crystal Structure Analysis of Glutathione-dependent formaldehyde-activating enzyme (Gfa)
分子名称: GLUTATHIONE, GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, ...
著者Neculai, A.M, Neculai, D, Griesinger, C, Vorholt, J.A, Becker, S.
登録日2004-08-25
公開日2004-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
5O9V
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BU of 5o9v by Molmil
HsNMT1 in complex with CoA and Myristoylated-GGCFSKPK octapeptide
分子名称: Apoptosis-inducing factor 3, CHLORIDE ION, COENZYME A, ...
著者Dian, C, Meinnel, T, Giglione, C.
登録日2017-06-20
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
5GR4
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BU of 5gr4 by Molmil
Crystal structure of branching enzyme L541A mutant from Cyanothece sp. ATCC 51142 in complex with maltoheptaose
分子名称: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION, ...
著者Suzuki, R, Suzuki, E.
登録日2016-08-08
公開日2017-08-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for substrate binding and catalysis of branching enzyme from Cyanothece sp. ATCC 51142
To be published
7Q9N
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BU of 7q9n by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol
分子名称: 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7Q9L
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BU of 7q9l by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol
分子名称: 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ...
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023

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