3D7V
 
 | | Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand | | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D. | | Deposit date: | 2008-05-22 | | Release date: | 2008-06-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A novel BH3 ligand that selectively targets Mcl-1 reveals that apoptosis can proceed without Mcl-1 degradation.
J.Cell Biol., 180, 2008
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5W7X
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7VHC
 | | Crystal structure of the STX2a complexed with AR4A peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 B subunit, inhibitor peptide, ... | | Authors: | Senda, M, Takahashi, M, Nishikawa, K, Senda, T. | | Deposit date: | 2021-09-22 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
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5BNX
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3CJO
 | | Crystal structure of KSP in complex with inhibitor 30 | | Descriptor: | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | Authors: | Yan, Y. | | Deposit date: | 2008-03-13 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer.
J.Med.Chem., 51, 2008
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7VHE
 | | Crystal structure of the STX2a complexed with RRRA peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, GLYCEROL, RRRA peptide, ... | | Authors: | Senda, M, Takahashi, M, Nishikawa, K, Senda, T. | | Deposit date: | 2021-09-22 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
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7VHF
 | | Crystal structure of the STX2a complexed with RRA peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, GLYCEROL, RRA peptide, ... | | Authors: | Senda, M, Takahashi, M, Nishikawa, K, Senda, T. | | Deposit date: | 2021-09-22 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
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4PNQ
 | | Crystal Structure of human Tankyrase 2 in complex with 5AIQ. | | Descriptor: | 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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7VHD
 | | Crystal structure of the STX2a complexed with R4A peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ARG-ARG-ARG-ARG-ALA, Shiga toxin 2 B subunit, ... | | Authors: | Senda, M, Takahashi, M, Nishikawa, K, Senda, T. | | Deposit date: | 2021-09-22 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
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7V90
 | | Telomeric mononucleosome | | Descriptor: | DNA (145-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-24 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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4PNM
 | | Crystal Structure of human Tankyrase 2 in complex with Nu1025. | | Descriptor: | 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-23 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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7VA4
 | | Telomeric tetranucleosome in open state | | Descriptor: | DNA (539-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-27 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (14 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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7V9J
 | | Telomeric trinucleosome | | Descriptor: | DNA (408-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-25 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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7V9S
 | | Telomeric trinucleosome in open state | | Descriptor: | DNA (408-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-26 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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7V9C
 | | Telomeric Dinucleosome in open state | | Descriptor: | DNA (275-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-24 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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7V9K
 | | Telomeric tetranucleosome | | Descriptor: | DNA (539-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-25 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (8.1 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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6TEK
 | | Structure of siderophore interaction domain of IrtAB | | Descriptor: | Drug ABC transporter ATP-binding protein, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Arnold, F.M, Gonda, I, Hutter, C.A.J, Seeger, M.A, Hurlimann, L.M. | | Deposit date: | 2019-11-12 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The ABC exporter IrtAB imports and reduces mycobacterial siderophores.
Nature, 580, 2020
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5VWZ
 | | Bak in complex with Bim-h3Pc | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, AMMONIUM ION, Bcl-2 homologous antagonist/killer, ... | | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2017-05-23 | | Release date: | 2017-11-15 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.622 Å) | | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
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5AGX
 | | Bcl-2 alpha beta-1 LINEAR complex | | Descriptor: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11 | | Authors: | Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D. | | Deposit date: | 2015-02-04 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
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5W0O
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7UYK
 | | Structure of RNF31 in complex with FP06655, a Helicon Polypeptide | | Descriptor: | AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06655, ... | | Authors: | Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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2X7C
 | | Crystal structure of human kinesin Eg5 in complex with (S)-enastron | | Descriptor: | (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | | Deposit date: | 2010-02-26 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
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4PNR
 | | Crystal Structure of human Tankyrase 2 in complex with TIQ-A. | | Descriptor: | 4H-thieno[2,3-c]isoquinolin-5-one, ETHANOL, GLYCEROL, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4TOR
 | | Crystal structure of Tankyrase 1 with IWR-8 | | Descriptor: | 1-[(1-acetyl-5-bromo-1H-indol-6-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide, CHLORIDE ION, Tankyrase-1, ... | | Authors: | Chen, H, Zhang, X, Lum, L, Chen, C. | | Deposit date: | 2014-06-06 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
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7UY2
 | | Structure of RNF31 in complex with FP06649, a Helicon Polypeptide | | Descriptor: | AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06649, ... | | Authors: | Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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