3VTR
 
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 E328A complexed with TMG-chitotriomycin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase | | Authors: | Liu, T, Zhou, Y, Chen, L, Chen, W, Liu, L, Shen, X, Yang, Q. | | Deposit date: | 2012-06-02 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into cellulolytic and chitinolytic enzymes revealing crucial residues of insect beta-N-acetyl-D-hexosaminidase
Plos One, 7, 2012
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4UNH
 | | Human insulin B26Gly mutant crystal structure | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION | | Authors: | Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. | | Deposit date: | 2014-05-28 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex
Acta Crystallogr.,Sect.D, 70, 2014
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4UI6
 | | 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
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4UI8
 | | Crystal structure of human tankyrase 2 in complex with TA-55 | | Descriptor: | 8-HYDROXY-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 (2.05 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
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4UI5
 | | 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
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4UI3
 | | 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
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4UI4
 | | Crystal structure of human tankyrase 2 in complex with TA-29 | | Descriptor: | BENZYL N-{[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]METHYL}CARBAMATE, SULFATE ION, TANKYRASE-2, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2015-03-27 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 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
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4UI7
 | | 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
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4UTQ
 | | 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
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4UVN
 | | Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- chlorophenyl)-1,2-dihydroisoquinolin-1-one | | Descriptor: | 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-07 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 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
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4V3D
 | | 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
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4V9D
 | | 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
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7ATY
 | | Solution NMR structure of the SH3 domain of human Caskin1 | | Descriptor: | Caskin-1 | | Authors: | Toke, O, Koprivanacz, K, Radnai, L, Mero, B, Juhasz, T, Liliom, K, Buday, L. | | Deposit date: | 2020-11-01 | | Release date: | 2021-02-03 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the SH3 Domain of Human Caskin1 Validates the Lack of a Typical Peptide Binding Groove and Supports a Role in Lipid Mediator Binding.
Cells, 10, 2021
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4UY8
 | | 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
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4V4P
 | | 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
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4V9J
 | | 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
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4V25
 | | 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
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4V8C
 | | 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
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4V87
 | | 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
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4V7V
 | | 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
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4WBU
 | | 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
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4UVS
 | | Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one | | Descriptor: | 5-amino-3-pentylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ... | | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 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
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4US2
 | | The crystal structure of H-Ras and SOS in complex with ligands | | Descriptor: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide, 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: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
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4V0I
 | | Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta | | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W. | | Deposit date: | 2014-09-16 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
J.Chem.Inf.Model., 56, 2016
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4V26
 | | 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
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