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5MU8
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BU of 5mu8 by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525
分子名称: Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine
著者Blevitt, J.M, Hack, M.D, Herman, K.L, Jackson, P.F, Krawczuk, P.J, Lebsack, A.D, Liu, A.X, Mirzadegan, T, Nelen, M.I, Patrick, A.P, Steinbacher, S, Milla, M.E, Lumb, K.J.
登録日2017-01-12
公開日2017-03-29
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction.
J. Med. Chem., 60, 2017
6CVH
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BU of 6cvh by Molmil
Identification and biological evaluation of thiazole-based inverse agonists of RORgt
分子名称: Nuclear receptor ROR-gamma, trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
著者Spurlino, J, Milligan, C.
登録日2018-03-28
公開日2018-04-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification and biological evaluation of thiazole-based inverse agonists of ROR gamma t.
Bioorg. Med. Chem. Lett., 28, 2018
6RUU
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BU of 6ruu by Molmil
Pseudokinase domain of human IRAK3
分子名称: GLYCEROL, Interleukin-1 receptor-associated kinase 3, MERCURY (II) ION, ...
著者Lange, S.M, Kulathu, Y, Cohen, P.
登録日2019-05-29
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Dimeric Structure of the Pseudokinase IRAK3 Suggests an Allosteric Mechanism for Negative Regulation.
Structure, 29, 2021
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
分子名称: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma
著者Spurlino, J, Milligan, C.
登録日2018-12-05
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.90197086 Å)
主引用文献3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
6NFH
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BU of 6nfh by Molmil
BTK in complex with inhibitor 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
分子名称: 1,2-ETHANEDIOL, 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione, Tyrosine-protein kinase BTK
著者Mirzadegan, T, Damm-Ganamet, K.L.
登録日2018-12-20
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J.Chem.Inf.Model., 59, 2019
6NFI
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BU of 6nfi by Molmil
BTK in complex with inhibitor N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide
分子名称: N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide, SULFATE ION, Tyrosine-protein kinase BTK
著者Damm-Ganamet, K.L, Mirzadegan, T.
登録日2018-12-20
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J.Chem.Inf.Model., 59, 2019

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件を2024-11-06に公開中

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