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PDB: 54 件
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
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
8OU9
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BU of 8ou9 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11e
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide, Cereblon isoform 4, ZINC ION
著者Heim, C, Bischof, L, Hartmann, M.D.
登録日2023-04-22
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 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
5AMI
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BU of 5ami by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Wash I structure
分子名称: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2015-03-10
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Dynamics of the Cereblon Ligand Binding Domain.
Plos One, 10, 2015
5AMJ
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BU of 5amj by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Wash II structure
分子名称: CEREBLON ISOFORM 4, PHOSPHATE ION, S-Thalidomide, ...
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2015-03-10
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Dynamics of the Cereblon Ligand Binding Domain.
Plos One, 10, 2015
8RDP
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BU of 8rdp by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8a
分子名称: (5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
著者Bischof, L, Hartmann, M.D.
登録日2023-12-08
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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
4V31
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BU of 4v31 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Deoxyuridine
分子名称: 2'-DEOXYURIDINE, CEREBLON ISOFORM 4, CITRATE ANION, ...
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
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
8OU6
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BU of 8ou6 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11c
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide, Cereblon isoform 4, PHOSPHATE 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 (1.84 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
4V30
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BU of 4v30 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Lenalidomide
分子名称: CEREBLON ISOFORM 4, S-Lenalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
5OH7
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BU of 5oh7 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Imidazolidine-2,4-dione (Hydantoin)
分子名称: Cereblon isoform 4, ZINC ION, imidazolidine-2,4-dione
著者Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
登録日2017-07-14
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
8OUA
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BU of 8oua by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11f
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Bischof, L, Hartmann, M.D.
登録日2023-04-22
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 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
4V32
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BU of 4v32 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Y101F mutant
分子名称: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
7SHH
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BU of 7shh by Molmil
Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl)piperidine-2,6-dione
分子名称: (3R)-3-(4-methoxyphenyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
著者Nithianantham, S, Fischer, M.
登録日2021-10-08
公開日2022-04-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Potent and Selective Janus Kinase 2/3 Directing PG-PROTACs.
Acs Med.Chem.Lett., 13, 2022
5OH2
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BU of 5oh2 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Pyrrolidin-2-one (Butyrolactam)
分子名称: Cereblon isoform 4, ZINC ION, pyrrolidin-2-one
著者Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
登録日2017-07-14
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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
8AOP
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BU of 8aop by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 14r
分子名称: (3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione, Cereblon isoform 4, PHOSPHATE ION, ...
著者Maiwald, S, Heim, C, Hartmann, M.D.
登録日2022-08-08
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines.
Eur.J.Med.Chem., 246, 2023
8RDT
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BU of 8rdt by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8j
分子名称: (5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
著者Bischof, L, Hartmann, M.D.
登録日2023-12-08
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
5OH8
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BU of 5oh8 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Rolipram
分子名称: Cereblon isoform 4, ROLIPRAM, ZINC ION
著者Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
登録日2017-07-14
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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
8RDS
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BU of 8rds by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8i
分子名称: (5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
著者Bischof, L, Hartmann, M.D.
登録日2023-12-08
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDQ
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BU of 8rdq by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8b
分子名称: (5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
著者Bischof, L, Hartmann, M.D.
登録日2023-12-08
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8AOQ
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BU of 8aoq by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a
分子名称: (3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
著者Maiwald, S, Heim, C, Hartmann, M.D.
登録日2022-08-08
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.088 Å)
主引用文献Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines.
Eur.J.Med.Chem., 246, 2023
5OH3
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BU of 5oh3 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Ethosuximide
分子名称: (3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione, Cereblon isoform 4, ZINC ION
著者Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
登録日2017-07-14
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018

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件を2024-09-18に公開中

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