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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
Descriptor: (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, ...
Authors:Motlova, L, Novakova, Z, Barinka, C.
Deposit date:2019-08-15
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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.
Descriptor: ALA-THR-ILE-GLY-THR-ALA-MET-TYR-LYS, Beta-2-microglobulin, GLYCEROL, ...
Authors:Huan, X, Xiao, Z, Tadwal, V.S, Ren, E.C.
Deposit date:2019-03-25
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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.
Descriptor: Beta-2-microglobulin, Epstein Barr Virus, Latent membrane protein 2 epitope, ...
Authors:Tadwal, V.S, Xiao, Z, Ren, E.C.
Deposit date:2016-08-10
Release date:2017-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Mazurkewich, S, Navarro Poulsen, J.C, Larsbrink, J, Lo Leggio, L.
Deposit date:2019-10-03
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
Descriptor: Glutamyl-tRNA reductase 1, Glutamyl-tRNA reductase-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, A, Han, F.
Deposit date:2017-10-11
Release date:2018-05-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 5' exon of UBC4 mRNA, BJ4_G0027490.mRNA.1.CDS.1, BJ4_G0054360.mRNA.1.CDS.1, ...
Authors:Wilkinson, M.E, Fica, S.M, Galej, W.P, Nagai, K.
Deposit date:2020-12-14
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: (2S)-2-NITROBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, NITROALKANE OXIDASE
Authors:Nagpal, A, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
Deposit date:2005-09-07
Release date:2006-02-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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, ...
Authors:Ferraroni, M, Angeli, A.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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
Descriptor: Transthyretin
Authors:Neto-Silva, R.M, Macedo-Ribeiro, S, Pereira, P.J.B, Saraiva, M.J, Damas, A.M.
Deposit date:2004-08-16
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: FORMIC ACID, GLYCEROL, PUTATIVE NICKEL-RESPONSIVE REGULATOR
Authors:Dian, C, Schauer, K, Kapp, U, McSweeney, S.M, Labigne, A, Terradot, L.
Deposit date:2005-12-20
Release date:2006-07-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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.
Descriptor: CITRIC ACID, FORMIC ACID, GLYCEROL, ...
Authors:Dian, C, Schauer, K, Kapp, U, McSweeney, S.M, Labigne, A, Terradot, L.
Deposit date:2005-12-20
Release date:2006-07-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Lolis, E, Sachpatzidis, A.
Deposit date:1999-08-02
Release date:1999-12-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E.
Deposit date:1999-07-30
Release date:2000-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: GLYCEROL, effector protein SidK
Authors:Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Transthyretin
Authors:Neto-Silva, R.M, Macedo-Ribeiro, S, Pereira, P.J.B, Coll, M, Saraiva, M.J, Damas, A.M.
Deposit date:2004-08-16
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: GLYCEROL, HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: GLUTATHIONE, GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, ...
Authors:Neculai, A.M, Neculai, D, Griesinger, C, Vorholt, J.A, Becker, S.
Deposit date:2004-08-25
Release date:2004-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Apoptosis-inducing factor 3, CHLORIDE ION, COENZYME A, ...
Authors:Dian, C, Meinnel, T, Giglione, C.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.201 Å)
Cite: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
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION, ...
Authors:Suzuki, R, Suzuki, E.
Deposit date:2016-08-08
Release date:2017-08-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ...
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023

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