1DTJ
| CRYSTAL STRUCTURE OF NOVA-2 KH3 K-HOMOLOGY RNA-BINDING DOMAIN | Descriptor: | RNA-BINDING NEUROONCOLOGICAL VENTRAL ANTIGEN 2 | Authors: | Lewis, H.A, Chen, H, Edo, C, Buckanovich, R.J, Yang, Y.Y.L, Musunuru, K, Zhong, R, Darnell, R.B, Burley, S.K. | Deposit date: | 2000-01-12 | Release date: | 2000-02-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of Nova-1 and Nova-2 K-homology RNA-binding domains. Structure Fold.Des., 7, 1999
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1DT4
| CRYSTAL STRUCTURE OF NOVA-1 KH3 K-HOMOLOGY RNA-BINDING DOMAIN | Descriptor: | NEURO-ONCOLOGICAL VENTRAL ANTIGEN 1 | Authors: | Lewis, H.A, Chen, H, Edo, C, Buckanovich, R.J, Yang, Y.Y.L. | Deposit date: | 2000-01-11 | Release date: | 2000-02-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of Nova-1 and Nova-2 K-homology RNA-binding domains. Structure Fold.Des., 7, 1999
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6DUM
| ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2018-06-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy. J.Med.Chem., 61, 2018
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8T0N
| Structure of Compound 4 bound to human ALDH1A1 | Descriptor: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol, Aldehyde dehydrogenase 1A1, CHLORIDE ION, ... | Authors: | Hurley, T.D. | Deposit date: | 2023-06-01 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes. Chem.Biol.Interact., 391, 2024
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8T0T
| Structure of Compound 4 bound to human ALDH1A1 | Descriptor: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile, Aldehyde dehydrogenase 1A1, CHLORIDE ION, ... | Authors: | Hurley, T.D. | Deposit date: | 2023-06-01 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes. Chem.Biol.Interact., 391, 2024
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7JWV
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWS
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWU
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWW
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWT
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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