3K7V
| Protein phosphatase 2A core complex bound to dinophysistoxin-1 | Descriptor: | (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Jeffrey, P.D, Huhn, J, Shi, Y. | Deposit date: | 2009-10-13 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A structural basis for the reduced toxicity of dinophysistoxin-2. Chem.Res.Toxicol., 22, 2009
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3K7W
| Protein phosphatase 2A core complex bound to dinophysistoxin-2 | Descriptor: | (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[( 2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Jeffrey, P.D, Huhn, J, Shi, Y. | Deposit date: | 2009-10-13 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | A structural basis for the reduced toxicity of dinophysistoxin-2. Chem.Res.Toxicol., 22, 2009
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2BES
| Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronohydroxamic acid. | Descriptor: | 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, CARBOHYDRATE-PHOSPHATE ISOMERASE | Authors: | Roos, A.K, Ericsson, D.J, Mowbray, S.L. | Deposit date: | 2004-11-30 | Release date: | 2004-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism. J.Biol.Chem., 280, 2005
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2BET
| Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronate. | Descriptor: | 4-PHOSPHO-D-ERYTHRONATE, CARBOHYDRATE-PHOSPHATE ISOMERASE | Authors: | Roos, A.K, Ericsson, D.J, Mowbray, S.L. | Deposit date: | 2004-11-30 | Release date: | 2004-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism J.Biol.Chem., 280, 2005
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3M85
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7Z6L
| Crystal structure of PROTAC 5 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Roy, M.J, Bader, G, Farnaby, W, Ciulli, A. | Deposit date: | 2022-03-12 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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7Z77
| Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2022-03-15 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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7Z76
| Crystal structure of compound 10 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2022-03-15 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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5J9Z
| EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | Descriptor: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | Authors: | Becker, C, Engel, J, Rauh, D. | Deposit date: | 2016-04-11 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
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7Z78
| Crystal structure of compound 4 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | 4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one, Probable global transcription activator SNF2L2, ZINC ION | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2022-03-15 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
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3M7N
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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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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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6S8A
| Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19h | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-07-09 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 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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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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6S89
| Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-07-09 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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5DMU
| Structure of the NHEJ polymerase from Methanocella paludicola | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NHEJ Polymerase, ... | Authors: | Brissett, N.C, Bartlett, E.J, Doherty, A.J. | Deposit date: | 2015-09-09 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Molecular basis for DNA strand displacement by NHEJ repair polymerases. Nucleic Acids Res., 44, 2016
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6FTW
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048 | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-02-24 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors. Bioorg.Med.Chem., 27, 2019
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1MPA
| BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | Descriptor: | CADMIUM ION, MN12H2 IGG2A-KAPPA, PORA P1.16 PEPTIDE FLUORESCEIN CONJUGATE | Authors: | Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P. | Deposit date: | 1997-02-26 | Release date: | 1997-09-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide. Proteins, 29, 1997
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5DMP
| Structure of the Archaeal NHEJ Phosphoesterase from Methanocella paludicola. | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein, ... | Authors: | Brissett, N.C, Bartlett, E.J, Doherty, A.J. | Deposit date: | 2015-09-09 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | Molecular basis for DNA strand displacement by NHEJ repair polymerases. Nucleic Acids Res., 44, 2016
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7EPT
| Structural basis for the tethered peptide activation of adhesion GPCRs | Descriptor: | Adhesion G-protein coupled receptor D1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Ping, Y.-Q, Xiao, P, Yang, F, Zhao, R.-J, Guo, S.-C, Yan, X, Wu, X, Liebscher, I, Xu, H.E, Sun, J.-P. | Deposit date: | 2021-04-27 | Release date: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for the tethered peptide activation of adhesion GPCRs. Nature, 604, 2022
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7EQ1
| GPR114-Gs-scFv16 complex | Descriptor: | Adhesion G-protein coupled receptor G5, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ping, Y. | Deposit date: | 2021-04-28 | Release date: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for the tethered peptide activation of adhesion GPCRs. Nature, 604, 2022
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1AY3
| Nodularin from Nodularia spumigena | Descriptor: | PEPTIDIC TOXIN NODULARIN | Authors: | Annila, A.J. | Deposit date: | 1997-11-14 | Release date: | 1999-08-16 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Solution structure of nodularin. An inhibitor of serine/threonine-specific protein phosphatases. J.Biol.Chem., 271, 1996
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