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1W0M
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BU of 1w0m by Molmil
Triosephosphate isomerase from Thermoproteus tenax
Descriptor: PHOSPHATE ION, TRIOSEPHOSPHATE ISOMERASE
Authors:Walden, H, Taylor, G, Lorentzen, E, Pohl, E, Lilie, H, Schramm, A, Knura, T, Stubbe, K, Tjaden, B, Hensel, R.
Deposit date:2004-06-08
Release date:2004-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Function of a Regulated Archaeal Triosephosphate Isomerase Adapted to High Temperature
J.Mol.Biol., 342, 2004
2VRG
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BU of 2vrg by Molmil
Structure of human MCFD2
Descriptor: CALCIUM ION, MULTIPLE COAGULATION FACTOR DEFICIENCY PROTEIN 2
Authors:Guy, J.E, Wigren, E, Svard, M, Hard, T, Lindqvist, Y.
Deposit date:2008-04-04
Release date:2008-07-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:New insights into multiple coagulation factor deficiency from the solution structure of human MCFD2.
J. Mol. Biol., 381, 2008
7L3R
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BU of 7l3r by Molmil
23S Sarcin Ricin Loop with a 3-deazapurine A2670
Descriptor: GLYCEROL, RNA (27-MER)
Authors:Ennifar, E, Renard, E.
Deposit date:2020-12-18
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Impact of 3-deazapurine nucleobases on RNA properties.
Nucleic Acids Res., 49, 2021
1ZZH
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BU of 1zzh by Molmil
Structure of the fully oxidized di-heme cytochrome c peroxidase from R. capsulatus
Descriptor: CALCIUM ION, HEME C, ZINC ION, ...
Authors:De Smet, L, Savvides, S.N, Van Horen, E, Pettigrew, G, Van Beeumen, J.J.
Deposit date:2005-06-14
Release date:2005-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and mutagenesis studies on the cytochrome c peroxidase from Rhodobacter capsulatus provide new insights into structure-function relationships of bacterial di-heme peroxidases
J.Biol.Chem., 281, 2006
5O4X
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BU of 5o4x by Molmil
Protein structure determination by electron diffraction using a single three-dimensional nanocrystal
Descriptor: Lysozyme C
Authors:Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P.
Deposit date:2017-05-31
Release date:2017-08-23
Last modified:2024-01-17
Method:ELECTRON CRYSTALLOGRAPHY (2.11 Å)
Cite:Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.
Acta Crystallogr D Struct Biol, 73, 2017
1III
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BU of 1iii by Molmil
CRYSTAL STRUCTURE OF THE TRANSTHYRETIN MUTANT TTR Y114C-DATA COLLECTED AT ROOM TEMPERATURE
Descriptor: BETA-MERCAPTOETHANOL, TRANSTHYRETIN
Authors:Eneqvist, T, Olofsson, A, Ando, Y, Lundgren, E, Sauer-Eriksson, A.E.
Deposit date:2001-04-23
Release date:2002-11-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Disulfide-Bond Formation in the Transthyretin Mutant Y114C Prevents Amyloid Fibril Formation in Vivo and in Vitro
Biochemistry, 41, 2002
1IIK
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BU of 1iik by Molmil
CRYSTAL STRUCTURE OF THE TRANSTHYRETIN MUTANT TTR Y114C-DATA COLLECTED AT CRYO TEMPERATURE
Descriptor: BETA-MERCAPTOETHANOL, TRANSTHYRETIN
Authors:Eneqvist, T, Olofsson, A, Ando, Y, Lundgren, E, Sauer-Eriksson, A.E.
Deposit date:2001-04-23
Release date:2002-11-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Disulfide-Bond Formation in the Transthyretin Mutant Y114C Prevents Amyloid Fibril Formation in Vivo and in Vitro
Biochemistry, 41, 2002
1SOK
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BU of 1sok by Molmil
Crystal structure of the transthyretin mutant A108Y/L110E solved in space group p21212
Descriptor: Transthyretin
Authors:Hornberg, A, Olofsson, A, Eneqvist, T, Lundgren, E, Sauer-Eriksson, A.E.
Deposit date:2004-03-15
Release date:2004-07-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The beta-strand D of transthyretin trapped in two discrete conformations
Biochim.Biophys.Acta, 1700, 2004
1SOQ
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BU of 1soq by Molmil
Crystal structure of the transthyretin mutant A108Y/L110E solved in space group C2
Descriptor: Transthyretin
Authors:Hornberg, A, Olofsson, A, Eneqvist, T, Lundgren, E, Sauer-Eriksson, A.E.
Deposit date:2004-03-15
Release date:2004-07-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The beta-strand D of transthyretin trapped in two discrete conformations
Biochim.Biophys.Acta, 1700, 2004
1F41
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BU of 1f41 by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN AT 1.5A RESOLUTION
Descriptor: TRANSTHYRETIN
Authors:Hornberg, A, Eneqvist, T, Olofsson, A, Lundgren, E, Sauer-Eriksson, A.E.
Deposit date:2000-06-07
Release date:2000-09-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A comparative analysis of 23 structures of the amyloidogenic protein transthyretin.
J.Mol.Biol., 302, 2000
8CBH
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BU of 8cbh by Molmil
SHP2 in complex with a novel allosteric inhibitor
Descriptor: Tyrosine-protein phosphatase non-receptor type 11, [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
Authors:di Fabio, R, Petrocchi, A.
Deposit date:2023-01-25
Release date:2023-04-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
3SZV
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BU of 3szv by Molmil
Crystal structure of Pseudomonas aeruginosa OccK3 (OpdO)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Pyroglutatmate porin OpdO
Authors:Bert van den, B, Elif, E.
Deposit date:2011-07-19
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3K29
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BU of 3k29 by Molmil
Structure of a putative YscO homolog CT670 from Chlamydia trachomatis
Descriptor: Putative uncharacterized protein
Authors:Lam, R, Singer, A, Skarina, T, Onopriyenko, O, Bochkarev, A, Brunzelle, J.S, Edwards, A.M, Anderson, W.F, Chirgadze, N.Y, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-09-29
Release date:2009-10-13
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and protein-protein interaction studies on Chlamydia trachomatis protein CT670 (YscO Homolog).
J.Bacteriol., 192, 2010
6TNP
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BU of 6tnp by Molmil
Crystal structure of the ScFv-5E5 in complex with a Tn glycopeptide
Descriptor: (2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide, Heavy chain of our ScFv-5E5, Light chain of our ScFv-5E5
Authors:Macias-Leon, J, Corzana, F, Hurtado-Guerrero, R.
Deposit date:2019-12-09
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural characterization of an unprecedented lectin-like antitumoral anti-MUC1 antibody.
Chem.Commun.(Camb.), 56, 2020
6TGG
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BU of 6tgg by Molmil
scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar
Descriptor: 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ...
Authors:Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F.
Deposit date:2019-11-15
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment.
Chem Sci, 11, 2020
3OXR
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BU of 3oxr by Molmil
Crystal Structure of HLA A*02:06 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
3OXS
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BU of 3oxs by Molmil
Crystal Structure of HLA A*02:07 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-22
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
3OX8
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BU of 3ox8 by Molmil
Crystal Structure of HLA A*02:03 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
3NK9
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BU of 3nk9 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V74A at cryogenic temperature
Descriptor: CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE
Authors:Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A.
Deposit date:2010-06-18
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
7NVP
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BU of 7nvp by Molmil
Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ...
Authors:Battista, T, Fiorillo, A, Colotti, G, Ilari, A.
Deposit date:2021-03-15
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach.
Acs Infect Dis., 8, 2022
4WYL
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BU of 4wyl by Molmil
Mutant K18E of 3D polymerase from Foot-and-Moth Disease Virus
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Ferrer-Orta, C, Verdaguer, N, de la Higuera, I, Domingo, E.
Deposit date:2014-11-17
Release date:2015-05-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
4X2B
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BU of 4x2b by Molmil
K20A RNA dependent RNA polymerase mutant from Foot-and-Mouth disease Virus complexed with an RNA
Descriptor: MAGNESIUM ION, RNA dependent RNA polymerase, RNA primer, ...
Authors:Verdaguer, N, Ferrer-Orta, C.
Deposit date:2014-11-26
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
8E1O
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BU of 8e1o by Molmil
Crystal structure of hTEAD2 bound to a methoxypyridine lipid pocket binder
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide, Transcriptional enhancer factor TEF-4
Authors:Noland, C.L, Dey, A, Zbieg, J, Crawford, J.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Targeting the Hippo pathway in cancers via ubiquitination dependent TEAD degradation
Biorxiv, 2024
6SP1
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BU of 6sp1 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 6
Descriptor: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
Authors:Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
Deposit date:2019-08-30
Release date:2020-06-03
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
6SP4
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BU of 6sp4 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 23
Descriptor: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1
Authors:Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
Deposit date:2019-08-30
Release date:2020-06-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020

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