3RKD
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3RKC
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4Z93
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![BU of 4z93 by Molmil](/molmil-images/mine/4z93) | BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18. | Descriptor: | 1,2-ETHANEDIOL, 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2015-04-09 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structure-Based Design of gamma-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors. J.Med.Chem., 58, 2015
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6NJS
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![BU of 6njs by Molmil](/molmil-images/mine/6njs) | Stat3 Core in complex with compound SD36 | Descriptor: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2019-01-04 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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6NUQ
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![BU of 6nuq by Molmil](/molmil-images/mine/6nuq) | Stat3 Core in complex with compound SI109 | Descriptor: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2019-02-01 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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4KPH
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![BU of 4kph by Molmil](/molmil-images/mine/4kph) | Structure of the Fab fragment of N62, a protective monoclonal antibody to the nonreducing end of Francisella tularensis O-antigen | Descriptor: | ACETATE ION, N62 heavy chain, N62 light chain | Authors: | Lu, Z, Rynkiewicz, M.J, Yang, C.-Y, Madico, G, Perkins, H.M, Wang, Q, Costello, C.E, Zaia, J, Seaton, B.A, Sharon, J. | Deposit date: | 2013-05-13 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The binding sites of monoclonal antibodies to the non-reducing end of Francisella tularensis O-antigen accommodate mainly the terminal saccharide. Immunology, 140, 2013
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6XOQ
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![BU of 6xoq by Molmil](/molmil-images/mine/6xoq) | DCN1 covalently bound to inhibitor 4 | Descriptor: | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide, Lysozyme, DCN1-like protein 1 chimera | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOM
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![BU of 6xom by Molmil](/molmil-images/mine/6xom) | DCN1 bound to 8 | Descriptor: | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide, 1,2-ETHANEDIOL, Lysozyme, ... | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XON
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![BU of 6xon by Molmil](/molmil-images/mine/6xon) | DCN1 bound to inhibitor 9 | Descriptor: | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide, Lysozyme DCN1-like protein 1 chimera | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOO
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![BU of 6xoo by Molmil](/molmil-images/mine/6xoo) | DCN1 bound to DI-1859 | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOL
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![BU of 6xol by Molmil](/molmil-images/mine/6xol) | DCN1 bound to DI-1548 | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOP
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![BU of 6xop by Molmil](/molmil-images/mine/6xop) | DCN1 bound to inhibitor 10 | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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4OTX
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![BU of 4otx by Molmil](/molmil-images/mine/4otx) | Structure of the anti-Francisella tularensis O-antigen antibody N203 Fab fragment | Descriptor: | AZIDE ION, CHLORIDE ION, N203 heavy chain, ... | Authors: | Lu, Z, Rynkiewicz, M.J, Yang, C.-Y, Madico, G, Perkins, H.M, Roche, M.I, Seaton, B.A, Sharon, J. | Deposit date: | 2014-02-14 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Functional and Structural Characterization of Francisella tularensis O-Antigen Antibodies at the Low End of Antigen Reactivity. Monoclon Antib Immunodiagn Immunother, 33, 2014
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4PB0
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![BU of 4pb0 by Molmil](/molmil-images/mine/4pb0) | Structure of the Fab fragment of the anti-Francisella tularensis GroEL antibody Ab53 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ab53 heavy chain, Ab53 light chain, ... | Authors: | Lu, Z, Rynkiewicz, M.J, Seaton, B.A, Sharon, J. | Deposit date: | 2014-04-10 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | B-Cell Epitopes in GroEL of Francisella tularensis. Plos One, 9, 2014
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4PB9
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![BU of 4pb9 by Molmil](/molmil-images/mine/4pb9) | Structure of the Fab fragment of the anti-Francisella tularensis GroEL antibody Ab64 | Descriptor: | Ab64 heavy chain, Ab64 light chain, SULFATE ION | Authors: | Lu, Z, Rynkiewicz, M.J, Seaton, B.A, Sharon, J. | Deposit date: | 2014-04-11 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | B-Cell Epitopes in GroEL of Francisella tularensis. Plos One, 9, 2014
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5WVC
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![BU of 5wvc by Molmil](/molmil-images/mine/5wvc) | Structure of the CARD-CARD disk | Descriptor: | Apoptotic protease-activating factor 1, Caspase, IODIDE ION | Authors: | Lin, S.C, Lo, Y.C, Su, T.W. | Deposit date: | 2016-12-24 | Release date: | 2017-04-19 | Method: | X-RAY DIFFRACTION (2.993 Å) | Cite: | Structural Insights into DD-Fold Assembly and Caspase-9 Activation by the Apaf-1 Apoptosome. Structure, 25, 2017
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6A4K
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![BU of 6a4k by Molmil](/molmil-images/mine/6a4k) | Human antibody 32D6 Fab in complex with H1N1 influenza A virus HA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | Deposit date: | 2018-06-20 | Release date: | 2019-03-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | An Effective Neutralizing Antibody Against Influenza Virus H1N1 from Human B Cells. Sci Rep, 9, 2019
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6B5Q
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![BU of 6b5q by Molmil](/molmil-images/mine/6b5q) | DCN1 bound to 38 | Descriptor: | DCN1-like protein 1, Peptidomimetic Inhibitors DI-591, TRIETHYLENE GLYCOL | Authors: | Stuckey, J. | Deposit date: | 2017-09-29 | Release date: | 2018-02-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction. J. Med. Chem., 61, 2018
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6C7Q
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![BU of 6c7q by Molmil](/molmil-images/mine/6c7q) | BRD4 BD2 in complex with compound CE277 | Descriptor: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.51 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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6C7R
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![BU of 6c7r by Molmil](/molmil-images/mine/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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6JP7
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![BU of 6jp7 by Molmil](/molmil-images/mine/6jp7) | Human antibody 32D6 Fab in complex with PEG | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, HEXAETHYLENE GLYCOL, immunoglobulin Fab heavy chain, ... | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | Deposit date: | 2019-03-26 | Release date: | 2020-02-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | Structural basis of polyethylene glycol recognition by antibody. J.Biomed.Sci., 27, 2020
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6JU0
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![BU of 6ju0 by Molmil](/molmil-images/mine/6ju0) | Mouse antibody 3.3 Fab in complex with PEG | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Fab heavy chain, ... | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | Deposit date: | 2019-04-12 | Release date: | 2020-02-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural basis of polyethylene glycol recognition by antibody. J.Biomed.Sci., 27, 2020
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6JWC
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![BU of 6jwc by Molmil](/molmil-images/mine/6jwc) | Mouse antibody 2B5 Fab in complex with PEG | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, DI(HYDROXYETHYL)ETHER, DODECAETHYLENE GLYCOL, ... | Authors: | Lee, C.C, Ko, T.P, Su, Y.C, Lin, L.L, Roffler, S.R, Wang, A.H.J. | Deposit date: | 2019-04-19 | Release date: | 2020-02-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Structural basis of polyethylene glycol recognition by antibody. J.Biomed.Sci., 27, 2020
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