8OU5
 
 | | 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
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8OU7
 | | 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
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8OU9
 | | 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
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5LP2
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3S6A
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5IIG
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5IIT
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5IJH
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5IIQ
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5IJJ
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5IJP
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5MND
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3SN9
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3SHG
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3SE5
 | | Fic protein from NEISSERIA MENINGITIDIS mutant delta8 in complex with AMPPNP | | Descriptor: | Cell filamentation protein Fic-related protein, HEXAETHYLENE GLYCOL, MAGNESIUM ION, ... | | Authors: | Goepfert, A, Stanger, F, Schirmer, T. | | Deposit date: | 2011-06-10 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
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2PJL
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7KPA
 | | asymmetric hTNF-alpha | | Descriptor: | 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Tumor necrosis factor | | Authors: | Fox III, D, Lukacs, C.M, Ceska, T. | | Deposit date: | 2020-11-10 | | Release date: | 2021-01-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF.
Nat Commun, 12, 2021
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7KPB
 | | Human TNF-alpha TNFR1 complex bound to conformationally selective antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Fab1974 - Heavy Chain, ... | | Authors: | Fox III, D, Conrady, D.G, Lowe, M, Ceska, T. | | Deposit date: | 2020-11-10 | | Release date: | 2021-01-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF
Nat Commun, 12, 2021
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3FEA
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6CCL
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine | | Descriptor: | 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-07 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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3G3Q
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3G3T
 | | Crystal structure of a eukaryotic polyphosphate polymerase in complex with orthophosphate | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Vacuolar transporter chaperone 4 | | Authors: | Lenherr, E.D, Hothorn, M, Scheffzek, K. | | Deposit date: | 2009-02-02 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Catalytic core of a membrane-associated eukaryotic polyphosphate polymerase.
Science, 324, 2009
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3G3O
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3G3U
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6CCK
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | Descriptor: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-07 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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