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4UI3
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BU of 4ui3 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-26
Descriptor: 2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI7
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BU of 4ui7 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-49
Descriptor: 8-HYDROXY-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI6
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BU of 4ui6 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-47
Descriptor: 8-METHOXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI5
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BU of 4ui5 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-41
Descriptor: 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UFU
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BU of 4ufu by Molmil
Crystal structure of human tankyrase 2 in complex with TA-12
Descriptor: 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-19
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UVV
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BU of 4uvv by Molmil
Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one
Descriptor: 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2014-08-08
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4V3D
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BU of 4v3d by Molmil
The CIDRa domain from HB3var03 PfEMP1 bound to endothelial protein C receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOTHELIAL PROTEIN C RECEPTOR, ...
Authors:Lau, C.K.Y, Turner, L, Jespersen, J.S, Lowe, E.D, Petersen, B, Wang, C.W, Petersen, J.E.V, Lusingu, J, Theander, T.G, Lavstsen, T, Higgins, M.K.
Deposit date:2014-10-17
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Conservation Despite Huge Sequence Diversity Allows Epcr Binding by the Pfemp1 Family Implicated in Severe Childhood Malaria.
Cell Host Microbe., 17, 2015
4V8C
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BU of 4v8c by Molmil
Crystal structure analysis of ribosomal decoding (near-cognate tRNA-leu complex with paromomycin).
Descriptor: 16S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Jenner, L, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2011-12-07
Release date:2014-07-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A new understanding of the decoding principle on the ribosome.
Nature, 484, 2012
4V9J
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BU of 4v9j by Molmil
70S ribosome translocation intermediate GDPNP-II containing elongation factor EFG/GDPNP, mRNA, and tRNA bound in the pe*/E state.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhou, J, Lancaster, L, Donohue, J.P, Noller, H.F.
Deposit date:2013-04-23
Release date:2014-07-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.86 Å)
Cite:Crystal structures of EF-G-ribosome complexes trapped in intermediate states of translocation.
Science, 340, 2013
4WBU
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BU of 4wbu by Molmil
prion peptide
Descriptor: PrP peptide
Authors:Yu, L, Lee, S.-J, Yee, V.
Deposit date:2014-09-03
Release date:2015-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
4V26
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BU of 4v26 by Molmil
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Descriptor: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ...
Authors:Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
Deposit date:2014-10-06
Release date:2014-12-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
4V89
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BU of 4v89 by Molmil
Crystal Structure of Release Factor RF3 Trapped in the GTP State on a Rotated Conformation of the Ribosome (without viomycin)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Zhou, J, Lancaster, L, Trakhanov, S, Noller, H.F.
Deposit date:2011-11-17
Release date:2014-07-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of release factor RF3 trapped in the GTP state on a rotated conformation of the ribosome.
Rna, 18, 2012
4V7V
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BU of 4v7v by Molmil
Crystal structure of the E. coli ribosome bound to clindamycin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Dunkle, J.A, Xiong, L, Mankin, A.S, Cate, J.H.D.
Deposit date:2010-08-16
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (3.2891 Å)
Cite:Structures of the Escherichia coli ribosome with antibiotics bound near the peptidyl transferase center explain spectra of drug action.
Proc.Natl.Acad.Sci.USA, 107, 2010
4W29
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BU of 4w29 by Molmil
70S ribosome translocation intermediate containing elongation factor EFG/GDP/fusidic acid, mRNA, and tRNAs trapped in the AP/AP pe/E chimeric hybrid state.
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhou, J, Lancaster, L, Donohue, J.P, Noller, H.F.
Deposit date:2014-07-02
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:How the ribosome hands the A-site tRNA to the P site during EF-G-catalyzed translocation.
Science, 345, 2014
4URU
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BU of 4uru by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UTQ
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BU of 4utq by Molmil
A structural model of the active ribosome-bound membrane protein insertase YidC
Descriptor: ATP SYNTHASE SUBUNIT C, MEMBRANE PROTEIN INSERTASE YIDC
Authors:Wickles, S, Singharoy, A, Andreani, J, Seemayer, S, Bischoff, L, Berninghausen, O, Soeding, J, Schulten, K, vanderSluis, E.O, Beckmann, R.
Deposit date:2014-07-22
Release date:2014-07-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8 Å)
Cite:A Structural Model of the Active Ribosome-Bound Membrane Protein Insertase Yidc.
Elife, 3, 2014
4UY8
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BU of 4uy8 by Molmil
Molecular basis for the ribosome functioning as a L-tryptophan sensor - Cryo-EM structure of a TnaC stalled E.coli ribosome
Descriptor: 50S RIBOSOMAL PROTEIN L10, 50S RIBOSOMAL PROTEIN L11, 50S RIBOSOMAL PROTEIN L13, ...
Authors:Bischoff, L, Berninghausen, O, Beckmann, R.
Deposit date:2014-08-29
Release date:2014-10-29
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular Basis for the Ribosome Functioning as an L-Tryptophan Sensor.
Cell Rep., 9, 2014
4V4P
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BU of 4v4p by Molmil
Crystal structure of 70S ribosome with thrS operator and tRNAs.
Descriptor: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Jenner, L, Romby, P, Rees, B, Schulze-Briese, C, Springer, M, Ehresmann, C, Ehresmann, B, Moras, D, Yusupova, G, Yusupov, M.
Deposit date:2005-01-19
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Translational operator of mRNA on the ribosome: how repressor proteins exclude ribosome binding.
Science, 308, 2005
4V9D
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BU of 4v9d by Molmil
Structures of the bacterial ribosome in classical and hybrid states of tRNA binding
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Dunkle, J.A, Wang, L, Feldman, M.B, Pulk, A, Chen, V.B, Kapral, G.J, Noeske, J, Richardson, J.S, Blanchard, S.C, Cate, J.H.D.
Deposit date:2012-07-31
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the bacterial ribosome in classical and hybrid states of tRNA binding.
Science, 332, 2011
4V87
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BU of 4v87 by Molmil
Crystal structure analysis of ribosomal decoding.
Descriptor: 16S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Demeshkina, N, Jenner, L, Yusupov, M, Yusupova, G.
Deposit date:2011-09-20
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A new understanding of the decoding principle on the ribosome.
Nature, 484, 2012
4UWI
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BU of 4uwi by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand
Descriptor: 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D.
Deposit date:2014-08-12
Release date:2014-12-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
J. Med. Chem., 57, 2014
4UVU
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BU of 4uvu by Molmil
Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium
Descriptor: 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2014-08-08
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4V25
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BU of 4v25 by Molmil
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Descriptor: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ...
Authors:Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
Deposit date:2014-10-06
Release date:2014-12-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
4V88
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BU of 4v88 by Molmil
The structure of the eukaryotic ribosome at 3.0 A resolution.
Descriptor: 18S RIBOSOMAL RNA, 18S rRNA, 25S rRNA, ...
Authors:Ben-Shem, A, Garreau de Loubresse, N, Melnikov, S, Jenner, L, Yusupova, G, Yusupov, M.
Deposit date:2011-10-11
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of the eukaryotic ribosome at 3.0 angstrom resolution.
Science, 334, 2011
4W5P
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BU of 4w5p by Molmil
Prp peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PrP peptide
Authors:Yu, L, Lee, S.-J, Yee, V.
Deposit date:2014-08-18
Release date:2015-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.151 Å)
Cite:Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015

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