8E7N
 
 | | Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, GLYCEROL, ... | | Authors: | Shaqra, A.M, Schiffer, C.A. | | Deposit date: | 2022-08-24 | | Release date: | 2023-03-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
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8E7C
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4JPS
 | | Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2013-03-19 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.
Bioorg.Med.Chem.Lett., 23, 2013
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7R26
 | | PI3K delta in complex with SD5 | | Descriptor: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | | Deposit date: | 2022-02-04 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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7R2B
 | | PI3Kdelta in complex with an inhibitor | | Descriptor: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | | Deposit date: | 2022-02-04 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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5ITD
 | | Crystal structure of PI3K alpha with PI3K delta inhibitor | | Descriptor: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2016-03-16 | | Release date: | 2016-09-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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1GCI
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1DYQ
 | | STAPHYLOCOCCAL ENTEROTOXIN A MUTANT VACCINE | | Descriptor: | Enterotoxin type A, SULFATE ION, ZINC ION | | Authors: | Krupka, H.I, Segelke, B.W, Rupp, B. | | Deposit date: | 2000-02-05 | | Release date: | 2001-03-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Basis for Abrogated Binding between Staphylococcal Enterotoxin a Superantigen Vaccine and Mhc-II?
Protein Sci., 11, 2002
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1JEA
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1OR2
 | | APOLIPOPROTEIN E3 (APOE3) TRUNCATION MUTANT 165 | | Descriptor: | APOLIPOPROTEIN E | | Authors: | Rupp, B, Segelke, B.W, Forstner, M. | | Deposit date: | 1999-03-25 | | Release date: | 2000-04-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformational flexibility in the apolipoprotein E amino-terminal domain structure determined from three new crystal forms: implications for lipid binding.
Protein Sci., 9, 2000
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1OR3
 | | APOLIPOPROTEIN E3 (APOE3), TRIGONAL TRUNCATION MUTANT 165 | | Descriptor: | PROTEIN (APOLIPOPROTEIN E) | | Authors: | Rupp, B, Segelke, B.W. | | Deposit date: | 1998-12-01 | | Release date: | 2000-05-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Conformational flexibility in the apolipoprotein E amino-terminal domain structure determined from three new crystal forms: implications for lipid binding.
Protein Sci., 9, 2000
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7T8M
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7TA4
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7T70
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7T9Y
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7TA7
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7TB2
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7TBT
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7T8R
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7TC4
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7MB9
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7MB4
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7MB8
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7MB5
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7MB6
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