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8FLH
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BU of 8flh by Molmil
Bruton's tyrosine kinase in complex with an orthosteric inhibitor
分子名称: 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
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 (1.55 Å)
主引用文献Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
8FLV
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BU of 8flv by Molmil
Bruton's tyrosine kinase in complex with compound 34
分子名称: 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Metrick, C.M, Marcotte, D.J.
登録日2022-12-22
公開日2023-04-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
6AR4
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BU of 6ar4 by Molmil
Crystal structure of PICK1 in complex with the small molecule inhibitor 1o
分子名称: N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine, PRKCA-binding protein
著者Marcotte, D.
登録日2017-08-21
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction.
Sci Rep, 8, 2018
6BJO
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BU of 6bjo by Molmil
PICK1 PDZ domain in complex with the small molecule inhibitor BIO124.
分子名称: (2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid, PRKCA-binding protein
著者Marcotte, D.J.
登録日2017-11-06
公開日2018-01-10
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Lock and chop: A novel method for the generation of a PICK1 PDZ domain and piperidine-based inhibitor co-crystal structure.
Protein Sci., 27, 2018
6BJN
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BU of 6bjn by Molmil
PICK1 PDZ domain in complex with the class I PDZ binding motif QSAV
分子名称: PRKCA-binding protein
著者Marcotte, D.J.
登録日2017-11-06
公開日2018-01-10
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Lock and chop: A novel method for the generation of a PICK1 PDZ domain and piperidine-based inhibitor co-crystal structure.
Protein Sci., 27, 2018
3M1N
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BU of 3m1n by Molmil
Crystal structure of Human Sonic Hedgehog N-terminal domain
分子名称: SULFATE ION, Sonic hedgehog protein, ZINC ION
著者Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F.
登録日2010-03-05
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping sonic hedgehog-receptor interactions by steric interference.
J.Biol.Chem., 275, 2000
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件を2024-06-12に公開中

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