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8C3H
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BU of 8c3h by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex a long aspartimide degron peptide
分子名称: Cereblon isoform 4, P3(40), ZINC ION
著者Heim, C, Spring, A.K, Hartmann, M.D.
登録日2022-12-23
公開日2023-02-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Cereblon neo-substrate binding mimics the recognition of the cyclic imide degron.
Biochem.Biophys.Res.Commun., 646, 2023
7PSO
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BU of 7pso by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Avadomide (CC-122)
分子名称: (3S)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2021-09-23
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献High-resolution structures of the bound effectors avadomide (CC-122) and iberdomide (CC-220) highlight advantages and limitations of the MsCI4 soaking system.
Acta Crystallogr D Struct Biol, 78, 2022
7PS9
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BU of 7ps9 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Iberdomide (CC-220)
分子名称: (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
著者Heim, C, Hartmann, M.D.
登録日2021-09-22
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of the bound effectors avadomide (CC-122) and iberdomide (CC-220) highlight advantages and limitations of the MsCI4 soaking system.
Acta Crystallogr D Struct Biol, 78, 2022
6R0V
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BU of 6r0v by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with hydrolysis product of compound 4b
分子名称: 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid, CHLORIDE ION, Cereblon isoform 4, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R0U
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BU of 6r0u by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5a and hydrolysis product
分子名称: 3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid, 4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R0S
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BU of 6r0s by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 4a and hydrolysis product
分子名称: 2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione, 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid, CEREBLON ISOFORM 4, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R0Q
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BU of 6r0q by Molmil
Mutant cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with thalidomide metabolite alpha-(o-carboxybenzamido)glutarimide
分子名称: 2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid, ALA-ALA-ALA, ALA-ALA-ALA-ALA, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R11
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BU of 6r11 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5b
分子名称: 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, Cereblon isoform 4, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R13
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BU of 6r13 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7f
分子名称: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R12
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BU of 6r12 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7b
分子名称: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R18
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BU of 6r18 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 11a
分子名称: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R19
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BU of 6r19 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a
分子名称: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1A
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BU of 6r1a by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20b
分子名称: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1D
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BU of 6r1d by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7d, co-crystallized
分子名称: (phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate, Cereblon isoform 4, ZINC ION
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1K
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BU of 6r1k by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7c
分子名称: Cereblon isoform 4, PHOSPHATE ION, ZINC ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1W
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BU of 6r1w by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 16b
分子名称: (4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-15
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1X
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BU of 6r1x by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7a
分子名称: Cereblon isoform 4, ZINC ION, ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
著者Heim, C, Hartmann, M.D.
登録日2019-03-15
公開日2019-08-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1C
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BU of 6r1c by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 12a
分子名称: 4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid, ASPARTIC ACID, CHLORIDE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
8BC6
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BU of 8bc6 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex an aspartimide degron peptide
分子名称: Cereblon isoform 4, GLN-MET-GLN-SNN, PHOSPHATE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2022-10-15
公開日2023-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Identification and structural basis of C-terminal cyclic imides as natural degrons for cereblon.
Biochem.Biophys.Res.Commun., 637, 2022
8BC7
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BU of 8bc7 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex an aminoglutarimide degron peptide
分子名称: Cereblon isoform 4, PHE-PHE-GLU-GLN-MET-GLN-QCI, S-Thalidomide, ...
著者Heim, C, Albrecht, R, Spring, A.K, Hartmann, M.D.
登録日2022-10-15
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献Identification and structural basis of C-terminal cyclic imides as natural degrons for cereblon.
Biochem.Biophys.Res.Commun., 637, 2022
7O4X
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BU of 7o4x by Molmil
Crystal structure of the PII-like protein PotN from Lentilactobacillus hilgardii
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nitrogen regulatory protein P-II
著者Heim, C, Hartmann, M.D.
登録日2021-04-07
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献PotN represents a novel energy-state sensing PII subfamily, occurring in firmicutes.
Febs J., 289, 2022
7PJK
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BU of 7pjk by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with a benzotriazole analog of thalidomide
分子名称: (3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
著者Heim, C, Hartmann, M.D, Maiwald, S.
登録日2021-08-24
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Replacing the phthalimide core in thalidomide with benzotriazole.
J Enzyme Inhib Med Chem, 37, 2022
8OU3
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BU of 8ou3 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 8d
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Bischof, L, Maiwald, S, Hartmann, M.D.
登録日2023-04-21
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8OU5
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BU of 8ou5 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11b
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide, Cereblon isoform 4, ZINC ION
著者Heim, C, Bischof, L, Hartmann, M.D.
登録日2023-04-21
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8OU4
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BU of 8ou4 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11a
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide, Cereblon isoform 4, ZINC ION
著者Heim, C, Bischof, L, Hartmann, M.D.
登録日2023-04-21
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023

 

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