9HCA
 
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9HCB
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9HCI
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9HCL
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 12 | | Descriptor: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCM
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 45 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(trifluoromethyloxy)phenyl]thiourea, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCN
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 46 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-methyl-2-(methylsulfonyl)aniline, ... | | Authors: | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCP
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 2-(difluoromethoxy)benzene-1-sulfonamide, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCQ
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 47 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCR
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 48 | | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.931 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCS
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 49 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCT
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 50 | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCU
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 51 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCV
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 16 | | Descriptor: | 1,2-ETHANEDIOL, 5-cyclobutyl-3-pyridin-2-yl-1,2,4-oxadiazole, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCW
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9HCX
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 53 | | Descriptor: | 1,2-ETHANEDIOL, 1-(3,4,5-trimethoxyphenyl)methanamine, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCY
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 54 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCZ
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 6 | | Descriptor: | 1,2-ETHANEDIOL, 2-(3-fluorophenoxy)-N,N-dimethylacetamide, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HD0
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 55 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HD1
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 59 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-propan-2-ylurea, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HD2
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 40 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3,5-dimethoxyphenyl)methoxy]naphthalene-1-sulfonic acid, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HD3
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 27 | | Descriptor: | 1,2-ETHANEDIOL, 4-ethoxynaphthalene-1-sulfonic acid, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HD4
 | | LecB in complex with photoswitchable compound GTB | | Descriptor: | CALCIUM ION, Fucose-binding lectin PA-IIL, ~{N}-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-4-[(~{Z})-phenyldiazenyl]benzenesulfonamide | | Authors: | Parisini, E, Bhattacharya, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.491 Å) | | Cite: | Crystal structure of Pseudomonas aeruginosa LecB in complex with photoswitchable compound GTB
To Be Published
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9HD5
 | | Crystal structure of CD73 (ecto-5'-nucleotidase) in complex with the AOPCP derivative PSB19427 in the closed state | | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[[4-[1-(2-fluoranylethyl)-1,2,3-triazol-4-yl]phenyl]methyl-propyl-amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | | Authors: | Strater, N, Moschuetz, S, Dobelmann, C, Schmies, C.C, Jacobson, K.A, Muller, C.E, Junker, A. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.911 Å) | | Cite: | Positron emission tomography (PET) tracer enables imaging of CD73 expression in cancer
To Be Published
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9HD6
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9HD9
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 1 | | Descriptor: | 1,2-ETHANEDIOL, N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Telomeric repeat-binding factor 1 | | Authors: | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-12 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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