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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6B2Q
| Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | Descriptor: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA | Authors: | Zuccola, H.J. | Deposit date: | 2017-09-20 | Release date: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8, 2017
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6B2P
| Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | Descriptor: | 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB | Authors: | Zuccola, H.J. | Deposit date: | 2017-09-20 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8, 2017
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8G9W
| Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Changela, A, Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-22 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.66 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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8G9Y
| Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Changela, A, Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-22 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.28 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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8G85
| vFP52.02 Fab in complex with BG505 DS-SOSIP Env trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-17 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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8GAS
| vFP48.02 Fab in complex with BG505 DS-SOSIP Env trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-23 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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5I40
| BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one) | Descriptor: | 1,2-ETHANEDIOL, 6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 9, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-11 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.0402 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5I29
| TAF1(2) bound to a pyrrolopyridone compound | Descriptor: | CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 | Authors: | Tang, Y, Poy, F, Bellon, S.F. | Deposit date: | 2016-02-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5I7X
| BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide) | Descriptor: | Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.1752 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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8G9X
| Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Changela, A, Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-22 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.46 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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5I88
| BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | Descriptor: | 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5I80
| BRD4 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4501 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5I7Y
| BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | Descriptor: | 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 9 | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4514 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5I1Q
| Second bromodomain of TAF1 bound to a pyrrolopyridone compound | Descriptor: | 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1 | Authors: | Tang, Y, Poy, F, Bellon, S.F. | Deposit date: | 2016-01-09 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5CA9
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5CA8
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6K2U
| Crystal structure of Thr66 ADP-ribosylated ubiquitin | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ... | Authors: | Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2019-05-15 | Release date: | 2020-03-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination. Mol.Cell, 78, 2020
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7LQH
| Cryo-EM of KFE8 thinner nanotube (class 2, 2-sub-1) | Descriptor: | KFE8 peptide | Authors: | Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P. | Deposit date: | 2021-02-13 | Release date: | 2021-06-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide. Matter, 4, 2021
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7LQI
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7LQF
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7LQE
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7LQG
| Cryo-EM of the KFE8 thinner nanotube (class 1, C2) | Descriptor: | KFE8 peptide | Authors: | Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P. | Deposit date: | 2021-02-13 | Release date: | 2021-06-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide. Matter, 4, 2021
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8Y6U
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6L8V
| membrane-bound Bax helix2-helix5 domain | Descriptor: | Apoptosis regulator BAX | Authors: | OuYang, B, Lv, F. | Deposit date: | 2019-11-07 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane. Embo J., 40, 2021
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