6BD1
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6BCY
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6VCS
| SRA domain of UHRF1 in complex with DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*TP*GP*TP*AP*CP*AP*GP*GP*C)-3'), E3 ubiquitin-protein ligase UHRF1, UNK-UNK-UNK-UNK, ... | Authors: | Dong, C, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-22 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | SRA domain of UHRF1 in complex with DNA To Be Published
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6BAD
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6BH3
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6VAO
| Human cofilin-1 decorated actin filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | Deposit date: | 2019-12-17 | Release date: | 2020-01-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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6BLW
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6BGW
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41) | Descriptor: | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.644 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BN8
| Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET55 PROTAC. | Descriptor: | Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | Deposit date: | 2017-11-16 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.990035 Å) | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
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6CD5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6VGG
| Crystal structure of the DNA binding domains of human transcription factor ERG, human Runx2 bound to core binding factor beta (Cbfb), and mithramycin, in complex with 16mer DNA CAGAGGATGTGGCTTC | Descriptor: | Core-binding factor subunit beta, DNA (5'-D(P*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*TP*G)-3'), ... | Authors: | Hou, C, Rohr, J, Tsodikov, O.V. | Deposit date: | 2020-01-08 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.31 Å) | Cite: | Allosteric interference in oncogenic FLI1 and ERG transactions by mithramycins. Structure, 29, 2021
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6VGE
| Crystal structure of the DNA binding domains of human transcription factor ERG, human Runx2 bound to core binding factor beta (Cbfb), in complex with 16mer DNA CAGAGGATGTGGCTTC | Descriptor: | Core-binding factor subunit beta, DNA (5'-D(P*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*TP*G)-3'), ... | Authors: | Hou, C, Tsodikov, O.V. | Deposit date: | 2020-01-07 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Allosteric interference in oncogenic FLI1 and ERG transactions by mithramycins. Structure, 29, 2021
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6CJ2
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056 | Descriptor: | 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. Acs Chem.Biol., 13, 2018
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6VED
| Solution structure of the TTD and linker region of UHRF1 | Descriptor: | E3 ubiquitin-protein ligase UHRF1 | Authors: | Lemak, A, Houliston, S, Duan, S, Ong, M.S, Arrowsmith, C.H. | Deposit date: | 2019-12-31 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1. Nucleic Acids Res., 48, 2020
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6VIZ
| BRD4_Bromodomain1 complex with pyrrolopyridone compound 27 | Descriptor: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | Deposit date: | 2020-01-14 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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6VKQ
| Crystal Structure of human PARP-1 CAT domain bound to inhibitor EB-47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Steffen, J.D, Pascal, J.M. | Deposit date: | 2020-01-21 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for allosteric PARP-1 retention on DNA breaks. Science, 368, 2020
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6C83
| Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | Descriptor: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | Deposit date: | 2018-01-24 | Release date: | 2019-02-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Allosteric modulation of a human protein kinase with monobodies. Proc.Natl.Acad.Sci.USA, 116, 2019
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6VPG
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6VPM
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6VKK
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6VPI
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6C7R
| BRD4 BD1 in complex with compound CF53 | Descriptor: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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6VIW
| BRD4_Bromodomain1 complex with pyrrolopyridone compound 18 | Descriptor: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | Deposit date: | 2020-01-14 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.429 Å) | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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6BNH
| Solution NMR structures of BRD4 ET domain with JMJD6 peptide | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Bromodomain-containing protein 4 | Authors: | Konuma, T, Yu, D, Zhao, C, Ju, Y, Sharma, R, Ren, C, Zhang, Q, Zhou, M.-M, Zeng, L. | Deposit date: | 2017-11-16 | Release date: | 2017-12-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4. Sci Rep, 7, 2017
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6VPL
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