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1EXT
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BU of 1ext by Molmil
EXTRACELLULAR DOMAIN OF THE 55KDA TUMOR NECROSIS FACTOR RECEPTOR. CRYSTALLIZED AT PH3.7 IN P 21 21 21.
分子名称: MAGNESIUM ION, SULFATE ION, TUMOR NECROSIS FACTOR RECEPTOR
著者Naismith, J.H, Sprang, S.R.
登録日1996-07-03
公開日1997-01-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of the extracellular domain of the type I tumor necrosis factor receptor.
Structure, 4, 1996
8FLN
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BU of 8fln by Molmil
Crystal structure of BTK C481S kinase domain in complex with pirtobrutinib
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ...
著者Cedervall, E.P, Morales, T.H, Allerston, C.K.
登録日2022-12-21
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.334 Å)
主引用文献Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
8FLL
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BU of 8fll by Molmil
Crystal structure of BTK kinase domain in complex with pirtobrutinib
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ...
著者Cedervall, E.P, Morales, T.H, Allerston, C.K.
登録日2022-12-21
公開日2023-03-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
6N2K
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BU of 6n2k by Molmil
Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C
分子名称: 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Vigers, G.P.
登録日2018-11-13
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity.
ACS Med Chem Lett, 9, 2018
6N2J
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BU of 6n2j by Molmil
Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C
分子名称: 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Vigers, G.P.
登録日2018-11-13
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity.
ACS Med Chem Lett, 9, 2018
1IKP
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BU of 1ikp by Molmil
Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A mutant
分子名称: CHLORIDE ION, EXOTOXIN A, SODIUM ION
著者McKay, D.B, Wedekind, J.E, Trame, C.B.
登録日2001-05-04
公開日2001-12-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A and its Implications for the Molecular Mechanism of Toxicity
J.Mol.Biol., 314, 2001
1IKQ
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Pseudomonas Aeruginosa Exotoxin A, wild type
分子名称: CHLORIDE ION, EXOTOXIN A, SODIUM ION
著者McKay, D.B, Wedekind, J.E, Trame, C.B.
登録日2001-05-04
公開日2001-12-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A and its Implications for the Molecular Mechanism of Toxicity
J.Mol.Biol., 314, 2001
1FT4
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PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
分子名称: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
著者Muckelbauer, J.K, Chang, C.-H.
登録日2000-09-11
公開日2001-10-12
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
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