9DA2
 
 | | Crystal structure of human DNPH1 bound to inhibitor 1b | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione, 5-hydroxymethyl-dUMP N-hydrolase, ... | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
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9DA3
 | | Crystal structure of human DNPH1 bound to inhibitor 2a | | Descriptor: | 5-hydroxymethyl-dUMP N-hydrolase, [(3R,4R)-4-hydroxy-1-{[5-(hydroxymethyl)-6-oxo-1,6-dihydropyridin-3-yl]methyl}pyrrolidin-3-yl]methyl dihydrogen phosphate | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
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9DA6
 | | Crystal structure of human DNPH1 bound to inhibitor 3a | | Descriptor: | (3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium, 1,2-ETHANEDIOL, 5-hydroxymethyl-dUMP N-hydrolase | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
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9DA4
 | | Crystal structure of human DNPH1 bound to inhibitor 2b | | Descriptor: | 5-hydroxymethyl-dUMP N-hydrolase, {(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}methyl dihydrogen phosphate | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
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9DA5
 | | Crystal structure of human DNPH1 bound to inhibitor 2c | | Descriptor: | 5-hydroxymethyl-dUMP N-hydrolase, [(3R,4R)-4-hydroxy-1-{[5-(hydroxymethyl)pyridin-3-yl]methyl}pyrrolidin-3-yl]methyl dihydrogen phosphate | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
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9DA1
 | | Crystal structure of human DNPH1 bound to inhibitor 1a | | Descriptor: | 5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate), 5-hydroxymethyl-dUMP N-hydrolase | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
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