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8RDQ
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BU of 8rdq by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8b
Descriptor: (5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDS
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BU of 8rds by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8i
Descriptor: (5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDP
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BU of 8rdp by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8a
Descriptor: (5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDT
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BU of 8rdt by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8j
Descriptor: (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, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDR
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BU of 8rdr by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8g
Descriptor: (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8OU6
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BU of 8ou6 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11c
Descriptor: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Bischof, L, Hartmann, M.D.
Deposit date:2023-04-21
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8OU7
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BU of 8ou7 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11d
Descriptor: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide, Cereblon isoform 4, ZINC ION
Authors:Heim, C, Bischof, L, Hartmann, M.D.
Deposit date:2023-04-22
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide, Cereblon isoform 4, ZINC ION
Authors:Heim, C, Bischof, L, Hartmann, M.D.
Deposit date:2023-04-21
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8OU3
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BU of 8ou3 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 8d
Descriptor: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Bischof, L, Maiwald, S, Hartmann, M.D.
Deposit date:2023-04-21
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8OUA
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BU of 8oua by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11f
Descriptor: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Bischof, L, Hartmann, M.D.
Deposit date:2023-04-22
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide, Cereblon isoform 4, ZINC ION
Authors:Heim, C, Bischof, L, Hartmann, M.D.
Deposit date:2023-04-21
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8OU9
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BU of 8ou9 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11e
Descriptor: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide, Cereblon isoform 4, ZINC ION
Authors:Heim, C, Bischof, L, Hartmann, M.D.
Deposit date:2023-04-22
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8PKV
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BU of 8pkv by Molmil
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDEETGEC).
Descriptor: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Braun, M.B, Bischof, L, Hartmann, M.D.
Deposit date:2023-06-27
Release date:2023-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8PKU
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BU of 8pku by Molmil
Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC).
Descriptor: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Braun, M.B, Bischof, L, Hartmann, M.D.
Deposit date:2023-06-27
Release date:2023-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8PKW
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BU of 8pkw by Molmil
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC).
Descriptor: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Braun, M.B, Bischof, L, Hartmann, M.D.
Deposit date:2023-06-27
Release date:2023-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8PKX
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BU of 8pkx by Molmil
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC).
Descriptor: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Braun, M.B, Bischof, L, Hartmann, M.D.
Deposit date:2023-06-27
Release date:2023-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023

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PDB entries from 2024-06-12

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