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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6RJ6
 | | Crystal structure of PHGDH in complex with BI-4924 | | Descriptor: | 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase | | 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 (1.984 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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4ZXF
 | | Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog | | Descriptor: | 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ... | | Authors: | Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M. | | Deposit date: | 2015-05-20 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
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1MS7
 | | X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-Des-Me-AMPA at 1.97 A resolution, Crystallization in the presence of zinc acetate | | Descriptor: | (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID, Glutamate receptor subunit 2, ZINC ION | | Authors: | Kasper, C, Lunn, M.-L, Liljefors, T, Gouaux, E, Egebjerg, J, Kastrup, J.S. | | Deposit date: | 2002-09-19 | | Release date: | 2003-07-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | GluR2 ligand-binding core complexes: importance of the isoxazolol moiety and 5-substituent for the binding mode of AMPA-type agonists
FEBS Lett., 531, 2002
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1N0T
 | | X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with the antagonist (S)-ATPO at 2.1 A resolution. | | Descriptor: | (S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ... | | Authors: | Hogner, A, Greenwood, J.R, Liljefors, T, Lunn, M.-L, Egebjerg, J, Larsen, I.K, Gouaux, E, Kastrup, J.S. | | Deposit date: | 2002-10-15 | | Release date: | 2003-03-04 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Competitive antagonism of AMPA receptors by ligands of
different classes: crystal structure of ATPO bound to the
GluR2 ligand-binding core, in comparison with DNQX.
J.Med.Chem., 46, 2003
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6XV7
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.668 Å) | | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6XUZ
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 4 | | Descriptor: | 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4 | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6XV3
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3 | | Descriptor: | 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4 | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8TQD
 | | NF-Kappa-B1 Bound with a Covalent Inhibitor | | Descriptor: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | | Authors: | Hilbert, B.J. | | Deposit date: | 2023-08-07 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability.
Cell, 187, 2024
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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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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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8OFK
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under reducing conditions (space group C 2 2 21) | | Descriptor: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ... | | Authors: | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | Deposit date: | 2023-03-15 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.713 Å) | | Cite: | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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8OIH
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group C 2 2 21) | | Descriptor: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, BROMIDE ION, ... | | Authors: | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | Deposit date: | 2023-03-22 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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3I90
 | | Crystal structure of human chromobox homolog 6 (CBX6) with H3K27 peptide | | Descriptor: | Chromobox protein homolog 6, H3K27 peptide | | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-10 | | Release date: | 2009-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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8OH8
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under reducing conditions (space group P 21 21 21) | | Descriptor: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ... | | Authors: | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | Deposit date: | 2023-03-20 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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8OIW
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group P 21 21 21) | | Descriptor: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ... | | Authors: | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | Deposit date: | 2023-03-23 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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3I91
 | | Crystal structure of human chromobox homolog 8 (CBX8) with H3K9 peptide | | Descriptor: | Chromobox protein homolog 8, H3K9 peptide | | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-10 | | Release date: | 2009-09-08 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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8TVI
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6CWA
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2LVZ
 | | Solution structure of a Eosinophil Cationic Protein-trisaccharide heparin mimetic complex | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Eosinophil cationic protein | | Authors: | Garcia Mayoral, M, Canales, A, Diaz, D, Lopez Prados, J, Moussaoui, M, de Paz, J, Angulo, J, Nieto, P, Jimenez Barbero, J, Boix, E, Bruix, M. | | Deposit date: | 2012-07-17 | | Release date: | 2013-07-31 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Insights into the glycosaminoglycan-mediated cytotoxic mechanism of eosinophil cationic protein revealed by NMR.
Acs Chem.Biol., 8, 2013
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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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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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6RHY
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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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