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6UUO
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BU of 6uuo by Molmil
Crystal structure of BRAF kinase domain bound to the PROTAC P4B
分子名称: N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F.
登録日2019-10-30
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.288 Å)
主引用文献Functional characterization of a PROTAC directed against BRAF mutant V600E.
Nat.Chem.Biol., 16, 2020
7M2K
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BU of 7m2k by Molmil
CDC34A-Ubiquitin-2ab inhibitor complex
分子名称: 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide, Ubiquitin, Ubiquitin-conjugating enzyme E2 R1
著者Ceccarelli, D.F, St-Cyr, D, Tyers, M, Sicheri, F.
登録日2021-03-16
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex.
Sci Adv, 7, 2021
7U3G
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BU of 7u3g by Molmil
GID4 in complex with compound 67
分子名称: (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3K
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BU of 7u3k by Molmil
GID4 in complex with compound 89
分子名称: GLYCEROL, Glucose-induced degradation protein 4 homolog, N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3I
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BU of 7u3i by Molmil
GID4 in complex with compound 16
分子名称: 3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol, GLYCEROL, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3J
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BU of 7u3j by Molmil
GID4 in complex with compound 88
分子名称: (2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide, GLYCEROL, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3E
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BU of 7u3e by Molmil
GID4 in complex with compound 1
分子名称: Glucose-induced degradation protein 4 homolog, tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3F
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BU of 7u3f by Molmil
GID4 in complex with compound 4
分子名称: (4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine, GLYCEROL, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3H
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BU of 7u3h by Molmil
GID4 in complex with compound 7
分子名称: (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3L
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BU of 7u3l by Molmil
GID4 in complex with compound 91
分子名称: GLYCEROL, Glucose-induced degradation protein 4 homolog, Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022

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件を2024-08-07に公開中

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