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5TIU
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BU of 5tiu by Molmil
Crystal structure of SYK kinase domain with inhibitor
分子名称: 5-{[(2S)-2-aminopropyl]amino}-3-(1H-indol-2-yl)pyrazine-2-carboxamide, Tyrosine-protein kinase SYK
著者Ellis, J.M, Altman, M.D, Cash, B, Haidle, A.M, Kubiak, R.L, Maddess, M.L, Yan, Y, Northrup, A.B.
登録日2016-10-03
公開日2017-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization.
ACS Med Chem Lett, 7, 2016
7MKV
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BU of 7mkv by Molmil
Engineered PLP-dependent decarboxylative aldolase from Aspergillus flavus, UstD2.0, bound as the internal aldimine
分子名称: Cysteine desulfurase-like protein ustD
著者Ellis, J.M, Buller, A.R, Bingman, C.A.
登録日2021-04-27
公開日2022-05-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Biocatalytic synthesis of non-standard amino acids by a decarboxylative aldol reaction
Nat Catal, 5, 2022
6MX3
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BU of 6mx3 by Molmil
Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 1
分子名称: (3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, CALCIUM ION, Stimulator of interferon genes protein
著者Lesburg, C.A, Siu, T, Ho, T.
登録日2018-10-30
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.362 Å)
主引用文献Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
6MXE
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BU of 6mxe by Molmil
Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 18
分子名称: CALCIUM ION, Stimulator of interferon genes protein, [(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid
著者Lesburg, C.A, Siu, T, Ho, T.
登録日2018-10-30
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
6MX0
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BU of 6mx0 by Molmil
Crystal structure of human STING apoprotein (G230A, H232R, R293Q)
分子名称: CALCIUM ION, Stimulator of interferon genes protein
著者Lesburg, C.A, Siu, T, Ho, T.
登録日2018-10-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
7MCK
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BU of 7mck by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18
分子名称: N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1
著者Palte, R.
登録日2021-04-02
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Rsc Med Chem, 12, 2021
7K34
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BU of 7k34 by Molmil
Crystal structure of L-threonine transaldolase from Pseudomonas fluorescens in internal aldimine state
分子名称: SULFATE ION, Threonine aldolase
著者Kumar, P, Bingman, C.A, Buller, A.R.
登録日2020-09-10
公開日2020-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献l-Threonine Transaldolase Activity Is Enabled by a Persistent Catalytic Intermediate.
Acs Chem.Biol., 16, 2021
8E80
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BU of 8e80 by Molmil
Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 14
分子名称: 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
8E81
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BU of 8e81 by Molmil
Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25
分子名称: (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022

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件を2024-07-24に公開中

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