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6QMO
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BU of 6qmo by Molmil
Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289E and S308A mutations
Descriptor: CHLORIDE ION, Death-associated protein kinase 1, GLYCEROL, ...
Authors:Huart, A.-S, Wilmanns, M.
Deposit date:2019-02-07
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
To Be Published
6QN6
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BU of 6qn6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
5L6Y
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BU of 5l6y by Molmil
il13 in complex with tralokinumab
Descriptor: FORMIC ACID, Interleukin-13, tralokinumab FAb digest VH, ...
Authors:Breed, J.
Deposit date:2016-06-01
Release date:2016-12-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Characterisation Reveals Mechanism of IL-13-Neutralising Monoclonal Antibody Tralokinumab as Inhibition of Binding to IL-13R alpha 1 and IL-13R alpha 2.
J. Mol. Biol., 429, 2017
5L8F
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BU of 5l8f by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A, E62A, H65A.
Descriptor: MAGNESIUM ION, Rru_A0973, TRIETHYLENE GLYCOL
Authors:He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J.
Deposit date:2016-06-07
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A, E62A, H65A.
To be published
6QNM
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BU of 6qnm by Molmil
Apo state of chemotaxis sensor ODP from T. denticola
Descriptor: OXYGEN-BINDING DI-IRON PROTEIN
Authors:Muok, A.R, Chong, J.E, Crane, B.R.
Deposit date:2019-02-11
Release date:2019-06-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species.
Proc.Natl.Acad.Sci.USA, 116, 2019
4UFL
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BU of 4ufl by Molmil
Mouse Galactocerebrosidase complexed with deoxy-galacto-noeurostegine DGN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
Deposit date:2015-03-17
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
6QY9
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BU of 6qy9 by Molmil
Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile, CHLORIDE ION, ...
Authors:Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
Deposit date:2019-03-08
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
To Be Published
6QYG
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BU of 6qyg by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mg2+ and CoA.
Descriptor: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
4W9J
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BU of 4w9j by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-4-methylpentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 13)
Descriptor: N-acetyl-L-leucyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
5L9U
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BU of 5l9u by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with a cross linked Ubiquitin variant-substrate-UBE2C (UBCH10) complex representing key features of multiubiquitination
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2016-06-11
Release date:2016-09-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
6QYQ
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BU of 6qyq by Molmil
Crystal structure of human thymidylate synthase (hTS) variant R175C
Descriptor: CHLORIDE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
Authors:Pozzi, C, Mangani, M.
Deposit date:2019-03-09
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Functional Characterization of the Human Thymidylate Synthase (hTS) Interface Variant R175C, New Perspectives for the Development of hTS Inhibitors.
Molecules, 24, 2019
6QYY
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BU of 6qyy by Molmil
The crystal structure of head fiber gp8.5 N base in bacteriophage phi29
Descriptor: Capsid fiber protein, SULFATE ION
Authors:Xu, J, Wang, D, Gui, M, Xiang, Y.
Deposit date:2019-03-10
Release date:2019-06-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
4WBE
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BU of 4wbe by Molmil
Crystal structure of the HR-1 domain of human caprin-1 in the C121 space group
Descriptor: Caprin-1
Authors:Wu, Y, Zhu, J, Huang, X, Du, Z.
Deposit date:2014-09-03
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the HR-1 domain of human caprin-1 in the C121 space group
To be published
4WBT
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BU of 4wbt by Molmil
Crystal structure of histidinol-phosphate aminotransferase from Sinorhizobium meliloti in complex with pyridoxal-5'-phosphate
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Shabalin, I.G, Bacal, P, Kowalska, A.K, Cooper, D.R, Stead, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-09-03
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of histidinol-phosphate aminotransferase from Sinorhizobium meliloti in complex with pyridoxal-5'-phosphate
to be published
4WCL
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BU of 4wcl by Molmil
Crystal Structure of product bound Cell Shape Determinant protein Csd4 from Helicobacter pylori
Descriptor: 2,6-DIAMINOPIMELIC ACID, Conserved hypothetical secreted protein, IODIDE ION, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2014-09-05
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Helical Shape of Helicobacter pylori Requires an Atypical Glutamine as a Zinc Ligand in the Carboxypeptidase Csd4.
J.Biol.Chem., 290, 2015
6QZR
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BU of 6qzr by Molmil
14-3-3 sigma in complex with FOXO1 pT24 peptide
Descriptor: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Forkhead box protein O1, ...
Authors:Ottmann, C, Wolter, M, Lau, R.A.
Deposit date:2019-03-12
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins.
J.Biol.Chem., 294, 2019
5KVJ
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BU of 5kvj by Molmil
Crystal structure of the 16-mer doublestranded RNA. Northeast Structural Genomics Consortium (NESG) target RNA1
Descriptor: ARGININE, RNA (5'-R(P*CP*CP*AP*UP*CP*CP*UP*CP*UP*AP*CP*AP*GP*GP*CP*G)-3'), RNA (5'-R(P*CP*GP*CP*CP*UP*GP*UP*AP*GP*AP*GP*GP*AP*UP*GP*G)-3')
Authors:Vorobiev, S.M, Ma, L.-C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-07-14
Release date:2016-08-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.261 Å)
Cite:Crystal structure of the 16-mer double stranded RNA.
To be published
7C6A
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BU of 7c6a by Molmil
Crystal structure of AT2R-BRIL and SRP2070_Fab complex
Descriptor: IgG Light Chain, IgG heavy chain, SAR1, ...
Authors:Suzuki, M, Miyagi, H, Asada, H, Yasunaga, M, Suno, C, Takahashi, Y, Saito, J, Iwata, S.
Deposit date:2020-05-21
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The discovery of a new antibody for BRIL-fused GPCR structure determination.
Sci Rep, 10, 2020
6QWS
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BU of 6qws by Molmil
Crystal structure of the Ski2 RNA-helicase Brr2 from Chaetomium thermophilum in the apo state
Descriptor: Pre-mRNA splicing helicase-like protein, SULFATE ION
Authors:Absmeier, E, Santos, K.F, Wahl, M.C.
Deposit date:2019-03-06
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Molecular Mechanism Underlying Inhibition of Intrinsic ATPase Activity in a Ski2-like RNA Helicase.
Structure, 28, 2020
5KWN
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BU of 5kwn by Molmil
The WD domain ofArabidopsis thaliana E3 Ubiquitin Ligase COP1 in complex with peptide from HY5
Descriptor: E3 ubiquitin-protein ligase COP1, peptide 16-mer
Authors:Uljon, S, Blacklow, S.
Deposit date:2016-07-18
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The COP1 WD domain in complex with HY5 peptide
To Be Published
4UNW
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BU of 4unw by Molmil
Structure of the A_Equine_Newmarket_2_93 H3 haemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J.
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
6QY7
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BU of 6qy7 by Molmil
Human CSNK2A1 bound to ERB-041
Descriptor: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CSNK2A1 bound to ERB-041
To Be Published
6QYF
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BU of 6qyf by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 4.6 with Mg2+ and CoA.
Descriptor: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
6QY8
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BU of 6qy8 by Molmil
Human CSNK2A2 bound to ERB-041
Descriptor: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, Casein kinase II subunit alpha'
Authors:Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CSNK2A1 bound to ERB-041
To Be Published
5L0P
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BU of 5l0p by Molmil
Symmetry-based assembly of a two-dimensional protein lattice
Descriptor: Transcription factor ETV6, Ferric uptake regulation protein chimera
Authors:Faham, S.
Deposit date:2016-07-27
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Symmetry based assembly of a 2 dimensional protein lattice.
PLoS ONE, 12, 2017

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