6I14
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![BU of 6i14 by Molmil](/molmil-images/mine/6i14) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9 | Descriptor: | 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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7RJO
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![BU of 7rjo by Molmil](/molmil-images/mine/7rjo) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with hnRNPK | Descriptor: | ACETATE ION, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization Biorxiv, 2021
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7RJR
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![BU of 7rjr by Molmil](/molmil-images/mine/7rjr) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with BCLTF1 | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 4, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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6ZVH
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![BU of 6zvh by Molmil](/molmil-images/mine/6zvh) | EDF1-ribosome complex | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Best, K.M, Denk, T, Cheng, J, Thoms, M, Berninghausen, O, Beckmann, R. | Deposit date: | 2020-07-24 | Release date: | 2020-08-19 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | EDF1 coordinates cellular responses to ribosome collisions. Elife, 9, 2020
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7RJQ
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![BU of 7rjq by Molmil](/molmil-images/mine/7rjq) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with ILF3 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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7RJK
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![BU of 7rjk by Molmil](/molmil-images/mine/7rjk) | Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with hnRNPK | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization Biorxiv, 2021
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7RN2
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![BU of 7rn2 by Molmil](/molmil-images/mine/7rn2) | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-28 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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7RJP
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![BU of 7rjp by Molmil](/molmil-images/mine/7rjp) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with SHMT | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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7RMD
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![BU of 7rmd by Molmil](/molmil-images/mine/7rmd) | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-27 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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7A09
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![BU of 7a09 by Molmil](/molmil-images/mine/7a09) | Structure of a human ABCE1-bound 43S pre-initiation complex - State III | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Kratzat, H, Mackens-Kiani, T, Ameismeier, A, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-08-07 | Release date: | 2020-10-14 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes. Embo J., 40, 2021
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7RJN
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![BU of 7rjn by Molmil](/molmil-images/mine/7rjn) | Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with BCLTF1 | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 3 | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization Biorxiv, 2021
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6I13
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![BU of 6i13 by Molmil](/molmil-images/mine/6i13) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 7 | Descriptor: | 1,2-ETHANEDIOL, 2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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7AAC
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![BU of 7aac by Molmil](/molmil-images/mine/7aac) | Crystal structure of the catalytic domain of human PARP1 in complex with veliparib | Descriptor: | (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | Deposit date: | 2020-09-04 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition. Nucleic Acids Res., 49, 2021
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6ZZR
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![BU of 6zzr by Molmil](/molmil-images/mine/6zzr) | The Crystal Structure of human LDHA from Biortus. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, L-lactate dehydrogenase A chain | Authors: | Wang, F, Lin, D, Cheng, W, Bao, X, Zhu, B, Shang, H. | Deposit date: | 2020-08-05 | Release date: | 2020-08-19 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Crystal Structure of human LDHA from Biortus To Be Published
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4CFL
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![BU of 4cfl by Molmil](/molmil-images/mine/4cfl) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511 | Descriptor: | 1,2-ETHANEDIOL, 8-phenyl-2-piperazin-1-yl-chromen-4-one, BRD4 PROTEIN, ... | Authors: | Chung, C, Dittmann, A, Drewes, G. | Deposit date: | 2013-11-18 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains. Acs Chem.Biol., 9, 2014
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4BNC
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![BU of 4bnc by Molmil](/molmil-images/mine/4bnc) | Crystal structure of the DNA-binding domain of human ETV1 complexed with DNA | Descriptor: | 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP)-3', HUMAN ETV1 | Authors: | Allerston, C.K, Cooper, C.D.O, Krojer, T, Chaikuad, A, Vollmar, M, Froese, D.S, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | Deposit date: | 2013-05-14 | Release date: | 2013-07-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation. J.Biol.Chem., 290, 2015
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7RIK
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![BU of 7rik by Molmil](/molmil-images/mine/7rik) | Magic-Angle-Spinning NMR Structure of Kinesin-1 Motor Domain Assembled with Microtubules | Descriptor: | Kinesin-1 heavy chain | Authors: | Zhang, C, Guo, C, Russell, R.W, Quinn, C.M, Li, M, Williams, J.C, Gronenborn, A.M, Polenova, T. | Deposit date: | 2021-07-20 | Release date: | 2022-11-23 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Magic-angle-spinning NMR structure of the kinesin-1 motor domain assembled with microtubules reveals the elusive neck linker orientation Nat Commun, 13, 2022
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6I42
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![BU of 6i42 by Molmil](/molmil-images/mine/6i42) | |
6Z7L
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![BU of 6z7l by Molmil](/molmil-images/mine/6z7l) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789 | Descriptor: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2020-05-31 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.624 Å) | Cite: | GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 63, 2020
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6I17
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![BU of 6i17 by Molmil](/molmil-images/mine/6i17) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24 | Descriptor: | 1,2-ETHANEDIOL, 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6Z4Y
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![BU of 6z4y by Molmil](/molmil-images/mine/6z4y) | Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 | Descriptor: | 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Aurora kinase A, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 To Be Published
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6I2U
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![BU of 6i2u by Molmil](/molmil-images/mine/6i2u) | |
7R5B
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![BU of 7r5b by Molmil](/molmil-images/mine/7r5b) | Crystal structure of BRD4(1) in complex with the inhibitor MPM2 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ... | Authors: | Huegle, M. | Deposit date: | 2022-02-10 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A novel pan-selective bromodomain inhibitor for epigenetic drug design Eur.J.Med.Chem., 249, 2023
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6I18
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![BU of 6i18 by Molmil](/molmil-images/mine/6i18) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176 | Descriptor: | 1,2-ETHANEDIOL, 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6HA7
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![BU of 6ha7 by Molmil](/molmil-images/mine/6ha7) | Crystal structure of the BiP NBD and MANF complex | Descriptor: | 1,2-ETHANEDIOL, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor | Authors: | Yan, Y, Ron, D. | Deposit date: | 2018-08-07 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
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