8A98
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![BU of 8a98 by Molmil](/molmil-images/mine/8a98) | CRYO-EM STRUCTURE OF LEISHMANIA MAJOR 80S RIBOSOME : snoRNA MUTANT | Descriptor: | 40S ribosomal protein S12, 40S ribosomal protein S14, 40S ribosomal protein S19-like protein, ... | Authors: | Rajan, K.S, Yonath, A, Bashan, A. | Deposit date: | 2022-06-28 | Release date: | 2023-10-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Structural and mechanistic insights into the function of Leishmania ribosome lacking a single pseudouridine modification. Cell Rep, 43, 2024
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7UK1
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7N29
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![BU of 7n29 by Molmil](/molmil-images/mine/7n29) | Structure of NAD kinase | Descriptor: | NAD kinase 2, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Du, J, Estrella, M.A, Jeffrey, P.D, Korennykh, A.V. | Deposit date: | 2021-05-28 | Release date: | 2022-05-04 | Last modified: | 2022-06-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of human NADK2 reveals atypical assembly and regulation of NAD kinases from animal mitochondria. Proc.Natl.Acad.Sci.USA, 119, 2022
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5MW2
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![BU of 5mw2 by Molmil](/molmil-images/mine/5mw2) | CRYSTAL STRUCTURE OF BCL-6 BTB-domain with BI-3802 | Descriptor: | 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein | Authors: | Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2017-01-18 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep, 20, 2017
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7Q7S
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![BU of 7q7s by Molmil](/molmil-images/mine/7q7s) | Crystal structure of human BCL6 BTB domain in complex with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-11-09 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J.Med.Chem., 65, 2022
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7Q7V
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![BU of 7q7v by Molmil](/molmil-images/mine/7q7v) | Crystal structure of human BCL6 BTB domain in complex with compound 12a | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-11-09 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J.Med.Chem., 65, 2022
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7Q7U
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![BU of 7q7u by Molmil](/molmil-images/mine/7q7u) | Crystal structure of human BCL6 BTB domain in complex with compound 9a | Descriptor: | 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein | Authors: | Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-11-09 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J.Med.Chem., 65, 2022
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7Q7T
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![BU of 7q7t by Molmil](/molmil-images/mine/7q7t) | Crystal structure of human BCL6 BTB domain in complex with compound 7 | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-11-09 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J.Med.Chem., 65, 2022
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7Q7R
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![BU of 7q7r by Molmil](/molmil-images/mine/7q7r) | Crystal structure of human BCL6 BTB domain in complex with compound 1 | Descriptor: | 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, CHLORIDE ION | Authors: | Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-11-09 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J.Med.Chem., 65, 2022
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8QPH
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![BU of 8qph by Molmil](/molmil-images/mine/8qph) | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | Deposit date: | 2023-10-02 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source To Be Published
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8QQC
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![BU of 8qqc by Molmil](/molmil-images/mine/8qqc) | Crystal structure of Lymantria dispar CPV14 polyhedra single crystal | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | Deposit date: | 2023-10-04 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source To Be Published
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5MWD
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![BU of 5mwd by Molmil](/molmil-images/mine/5mwd) | Crystal structure of the BCL6 BTB-domain with compound 2 | Descriptor: | 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | Authors: | Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2017-01-18 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep, 20, 2017
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6WB4
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![BU of 6wb4 by Molmil](/molmil-images/mine/6wb4) | Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2021-12-15 | Method: | X-RAY DIFFRACTION (2.593 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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6WB5
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![BU of 6wb5 by Molmil](/molmil-images/mine/6wb5) | Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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6WB7
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![BU of 6wb7 by Molmil](/molmil-images/mine/6wb7) | Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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5NNZ
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![BU of 5nnz by Molmil](/molmil-images/mine/5nnz) | Crystal structure of human ODA16 | Descriptor: | Dynein assembly factor with WDR repeat domains 1 | Authors: | Lorentzen, E, Taschner, T, Basquin, J. | Deposit date: | 2017-04-10 | Release date: | 2017-06-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Purification and crystal structure of human ODA16: Implications for ciliary import of outer dynein arms by the intraflagellar transport machinery. Protein Sci., 29, 2020
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6DB3
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![BU of 6db3 by Molmil](/molmil-images/mine/6db3) | JAK3 with Cyanamide CP23 | Descriptor: | Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-02 | Release date: | 2018-11-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors. J. Med. Chem., 61, 2018
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6DUD
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![BU of 6dud by Molmil](/molmil-images/mine/6dud) | JAK3 with cyanamide CP12 | Descriptor: | N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, SULFATE ION, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2018-06-20 | Release date: | 2018-11-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors. J. Med. Chem., 61, 2018
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6DB4
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![BU of 6db4 by Molmil](/molmil-images/mine/6db4) | JAK3 with Cyanamide CP34 | Descriptor: | N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-02 | Release date: | 2018-11-28 | Last modified: | 2019-05-01 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors. J. Med. Chem., 61, 2018
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6DA4
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![BU of 6da4 by Molmil](/molmil-images/mine/6da4) | JAK3 with Cyanamide CP10 | Descriptor: | (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-01 | Release date: | 2018-11-28 | Last modified: | 2019-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors. J. Med. Chem., 61, 2018
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6RIH
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![BU of 6rih by Molmil](/molmil-images/mine/6rih) | Crystal structure of PHGDH in complex with compound 9 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-24 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6RJ2
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![BU of 6rj2 by Molmil](/molmil-images/mine/6rj2) | Crystal structure of PHGDH in complex with compound 40 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6PAJ
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![BU of 6paj by Molmil](/molmil-images/mine/6paj) | |
6T9C
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5MW6
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![BU of 5mw6 by Molmil](/molmil-images/mine/5mw6) | Crystal structure of the BCL6 BTB-domain with compound 1 | Descriptor: | 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine, B-cell lymphoma 6 protein | Authors: | Davies, D.R, Kessler, D. | Deposit date: | 2017-01-18 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep, 20, 2017
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