7P6V
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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7P6Y
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef | Descriptor: | 4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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6X2R
| Crystal Structure of the 4E-TNES peptide bound to CRM1 | Descriptor: | Eukaryotic translation initiation factor 4E transporter, Exportin-1, GLYCEROL, ... | Authors: | Baumhardt, J.M. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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7P6W
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3bg | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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7OO3
| Pol II-CSB-CSA-DDB1-UVSSA (Structure1) | Descriptor: | CSB element, DNA damage-binding protein 1, DNA excision repair protein ERCC-6, ... | Authors: | Kokic, G, Cramer, P. | Deposit date: | 2021-05-26 | Release date: | 2021-10-06 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of human transcription-DNA repair coupling. Nature, 598, 2021
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7OPD
| Pol II-CSB-CRL4CSA-UVSSA-SPT6-PAF (Structure 5) | Descriptor: | Cullin-4A, DNA damage-binding protein 1, DNA excision repair protein ERCC-6, ... | Authors: | Kokic, G, Cramer, P. | Deposit date: | 2021-05-31 | Release date: | 2021-10-06 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of human transcription-DNA repair coupling. Nature, 598, 2021
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7OOB
| Pol II-CSB-CSA-DDB1-UVSSA-ADPBeF3 (Structure2) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA damage-binding protein 1, ... | Authors: | Kokic, G, Cramer, P. | Deposit date: | 2021-05-27 | Release date: | 2021-10-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of human transcription-DNA repair coupling. Nature, 598, 2021
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7OPC
| Pol II-CSB-CRL4CSA-UVSSA-SPT6-PAF (Structure 4) | Descriptor: | Cullin-4A, DNA damage-binding protein 1, DNA excision repair protein ERCC-6, ... | Authors: | Kokic, G, Cramer, P. | Deposit date: | 2021-05-31 | Release date: | 2021-10-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of human transcription-DNA repair coupling. Nature, 598, 2021
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3GJ3
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5NTI
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5NWH
| Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | Descriptor: | 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione, ADP-sugar pyrophosphatase | Authors: | Carter, M, Stenmark, P. | Deposit date: | 2017-05-06 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun, 9, 2018
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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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6WHO
| Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHN
| Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. 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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6WHQ
| Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHZ
| Histone deacetylases complex with peptide macrocycles | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WM8
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6WI3
| Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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3HMF
| Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein polybromo-1, ... | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-29 | Release date: | 2009-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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6WKB
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5O4P
| Crystal structure of AMPylated GRP78 | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, SULFATE ION | Authors: | Yan, Y, Chen, R, Ron, D, Read, R. | Deposit date: | 2017-05-30 | Release date: | 2017-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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5NTN
| Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds | Descriptor: | (5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1 | Authors: | Kallen, J. | Deposit date: | 2017-04-28 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
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3GH0
| Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L. | Deposit date: | 2009-03-02 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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5O97
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