7UK1
 
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6C2U
 | | Solution structure of a phosphate-loop protein | | Descriptor: | phosphate-loop protein | | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | | Deposit date: | 2018-01-09 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Simple yet functional phosphate-loop proteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3KMO
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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: | 2024-10-23 | | 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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6F6P
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6PAJ
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6S9B
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide, Epidermal growth factor receptor | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6S9C
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | | Descriptor: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6S9D
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 6 | | Descriptor: | 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one, DIMETHYL SULFOXIDE, Epidermal growth factor receptor | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6E1O
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6E0H
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6DZ7
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5JBD
 | | 4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121 | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Pijning, T, Dijkstra, B.W, Bai, Y, Gangoiti-Munecas, J, Dijkhuizen, L. | | Deposit date: | 2016-04-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of 4,6-alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from alpha-Amylases in Oral Bacteria.
Structure, 25, 2017
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4IDJ
 | | S.Aureus a-hemolysin monomer in complex with Fab | | Descriptor: | Alpha-hemolysin, Fab Heavy chain, Fab Light chain, ... | | Authors: | Strop, P. | | Deposit date: | 2012-12-12 | | Release date: | 2013-06-26 | | Last modified: | 2021-05-26 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Mechanism of Action and In Vivo Efficacy of a Human-Derived Antibody against Staphylococcus aureus alpha-Hemolysin.
J.Mol.Biol., 425, 2013
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6RJ3
 | | Crystal structure of PHGDH in complex with compound 15 | | Descriptor: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | 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 (1.42 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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6RJ5
 | | Crystal structure of PHGDH in complex with compound 39 | | Descriptor: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | 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 (1.89 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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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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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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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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5D1Z
 | | IsdB NEAT1 bound by clone D4-10 | | Descriptor: | D4-10 Heavy Chain, D4-10 Light Chain, Iron-regulated surface determinant protein B, ... | | Authors: | Deng, X. | | Deposit date: | 2015-08-04 | | Release date: | 2016-09-14 | | Last modified: | 2016-12-07 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
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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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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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5HYM
 | | 3-Hydroxybenzoate 6-hydroxylase from Rhodococcus jostii in complex with phosphatidylinositol | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Phosphatidylinositol, ... | | Authors: | Orru, R, Montersino, S, Mattevi, A, van Berkel, W.J.H. | | Deposit date: | 2016-02-01 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 3-Hydroxybenzoate 6-Hydroxylase from Rhodococcus jostii RHA1 Contains a Phosphatidylinositol Cofactor.
Front Microbiol, 8, 2017
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5D1Q
 | | IsdB NEAT2 bound by clone D2-06 | | Descriptor: | D2-06 Heavy Chain, D2-06 Light Chain, Iron-regulated surface determinant protein B, ... | | Authors: | Deng, X. | | Deposit date: | 2015-08-04 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
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7QK0
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12a | | Descriptor: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2021-12-17 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
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