6X7B
 
 | | BRD4 Bromodomain 1 in complex with multi-action inhibitor SRX3212P | | Descriptor: | 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide, Bromodomain-containing protein 4 | | Authors: | Vann, K.R, Kutateladze, T.G. | | Deposit date: | 2020-05-29 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets.
Sci Rep, 10, 2020
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4CRI
 | | Crystal Structure of 53BP1 tandem tudor domains in complex with methylated K810 Rb peptide | | Descriptor: | RB1 PROTEIN, TUMOR SUPPRESSOR P53-BINDING PROTEIN 1 | | Authors: | Krojer, T, Johansson, C, Gileadi, C, Fedorov, O, Carr, S, La Thangue, N.B, Vollmar, M, Crawley, L, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U. | | Deposit date: | 2014-02-26 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Lysine Methylation-Dependent Binding of 53BP1 to the Prb Tumor Suppressor.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6XJP
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6XKA
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7P9V
 | | Cryo EM structure of System XC- | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, Cystine/glutamate transporter | | Authors: | Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S. | | Deposit date: | 2021-07-28 | | Release date: | 2021-11-17 | | Last modified: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis for redox control by the human cystine/glutamate antiporter system xc .
Nat Commun, 12, 2021
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7P9U
 | | Cryo EM structure of System XC- in complex with glutamate | | Descriptor: | 4F2 cell-surface antigen heavy chain, Cystine/glutamate transporter, GLUTAMIC ACID | | Authors: | Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S. | | Deposit date: | 2021-07-28 | | Release date: | 2021-11-17 | | Last modified: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular basis for redox control by the human cystine/glutamate antiporter system xc .
Nat Commun, 12, 2021
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3TBL
 | | Structure of Mono-ubiquitinated PCNA: Implications for DNA Polymerase Switching and Okazaki Fragment Maturation | | Descriptor: | Proliferating cell nuclear antigen, Ubiquitin | | Authors: | Zhang, Z, Lee, M, Lee, E, Zhang, S. | | Deposit date: | 2011-08-07 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.903 Å) | | Cite: | Structure of monoubiquitinated PCNA: Implications for DNA polymerase switching and Okazaki fragment maturation.
Cell Cycle, 11, 2012
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6X7C
 | | BRD4 Bromodomain 1 in complex with multi-action inhibitor SRX3212 | | Descriptor: | 7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide, Bromodomain-containing protein 4 | | Authors: | Vann, K.R, Kutateladze, T.G. | | Deposit date: | 2020-05-29 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets.
Sci Rep, 10, 2020
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4N4G
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6XJT
 | | Crystal Structure of KPT-8602 bound to CRM1 (537-DLTVK-541 to GLCEQ) | | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ... | | Authors: | Baumhardt, J.M, Chook, Y.M. | | Deposit date: | 2020-06-24 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
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3THW
 | | Human MutSbeta complexed with an IDL of 4 bases (Loop4) and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA Loop4 hairpin, DNA mismatch repair protein Msh2, ... | | Authors: | Yang, W. | | Deposit date: | 2011-08-19 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops
Nat.Struct.Mol.Biol., 19, 2012
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4YUO
 | | High-resolution multiconformer synchrotron model of CypA at 273 K | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | Deposit date: | 2015-03-18 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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4D5N
 | | Cryo-EM structures of ribosomal 80S complexes with termination factors and cricket paralysis virus IRES reveal the IRES in the translocated state | | Descriptor: | CRICKET PARALYSIS VIRUS IRES RNA, EUKARYOTIC PEPTIDE CHAIN RELEASE FACTOR SUBUNIT 1 | | Authors: | Muhs, M, Hilal, T, Mielke, T, Skabkin, M.A, Sanbonmatsu, K.Y, Pestova, T.V, Spahn, C.M.T. | | Deposit date: | 2014-11-06 | | Release date: | 2015-02-04 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Cryo-Em of Ribosomal 80S Complexes with Termination Factors Reveals the Translocated Cricket Paralysis Virus Ires.
Mol.Cell, 57, 2015
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4YUH
 | | Multiconformer synchrotron model of CypA at 150 K | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | Deposit date: | 2015-03-18 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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6XJR
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4KTV
 | | Structural insights of MAT enzymes: MATa2b complexed with adenosine and pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ... | | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | | Deposit date: | 2013-05-21 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure and function study of the complex that synthesizes S-adenosylmethionine.
IUCrJ, 1, 2014
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6X7D
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7P3B
 | | Human RNA ligase RTCB in complex with GMP and Co(II) | | Descriptor: | ACETATE ION, COBALT (II) ION, FORMIC ACID, ... | | Authors: | Kroupova, A, Ackle, F, Jinek, M. | | Deposit date: | 2021-07-07 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular architecture of the human tRNA ligase complex.
Elife, 10, 2021
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4DEE
 | | Aurora A in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
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3THB
 | | Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor | | Descriptor: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one, Serine/threonine-protein kinase PLK1, ZINC ION | | Authors: | Sintchak, M.D. | | Deposit date: | 2011-08-18 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a Potent and Orally Bioavailable Benzolactam-Derived Inhibitor of Polo-Like Kinase 1 (MLN0905).
J.Med.Chem., 55, 2012
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3QZV
 | | Crystal Structure of BPTF PHD-linker-bromo in complex with histone H4K12ac peptide | | Descriptor: | Histone H4, Nucleosome-remodeling factor subunit BPTF, ZINC ION | | Authors: | Li, H, Ruthenburg, A.J, Patel, D.J. | | Deposit date: | 2011-03-07 | | Release date: | 2011-06-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
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6XJS
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4YUJ
 | | Multiconformer synchrotron model of CypA at 240 K | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | Deposit date: | 2015-03-18 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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3RQF
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3JSX
 | | X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 | | Descriptor: | 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Dunstan, M.S, Levy, C, Leys, D. | | Deposit date: | 2009-09-11 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
J.Med.Chem., 52, 2009
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