7F0I
 
 | | phosphodiesterase-9A in complex with inhibitor 4b | | Descriptor: | 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Wu, Y, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-06-04 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.70000887 Å) | | Cite: | Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis
J.Med.Chem., 64, 2021
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3N3Z
 | | Crystal structure of PDE9A (E406A) mutant in complex with IBMX | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CHLORIDE ION, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | | Authors: | Hou, J, Luo, H.-B, Chen, Y, Xu, J, Zhao, R, Zou, L. | | Deposit date: | 2010-05-21 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of PDE9A (E406A) mutation in complex with IBMX
To be Published
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6IJI
 | | Crystal structure of PDE10 in complex with inhibitor 2b | | Descriptor: | 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | | Deposit date: | 2018-10-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
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7FAR
 | | Crystal structure of PDE5A in complex with inhibitor L12 | | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006471 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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7FAQ
 | | Crystal structure of PDE5A in complex with inhibitor L1 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.200136 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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6IJH
 | | Crystal structure of PDE10 in complex with inhibitor AF-399/14387019 | | Descriptor: | 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | | Deposit date: | 2018-10-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
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6KZE
 | | The crystal structue of PDE10A complexed with 4d | | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | | Deposit date: | 2019-09-24 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.50003481 Å) | | Cite: | Novel Potent and Highly Selective Benzoimidazole-based Phosphodiesterase 10 Inhibitors with Improved Solubility and Pharmacokinetic Properties for the Treatment of Pulmonary Arterial Hypertension
To Be Published
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3RX3
 | | Crystal Structure of Human Aldose Reductase Complexed with Sulindac | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid | | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | | Deposit date: | 2011-05-10 | | Release date: | 2011-11-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
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3S3G
 | | Crystal Structure of Human Aldose Reductase Complexed with Tolmetin | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin | | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | | Deposit date: | 2011-05-18 | | Release date: | 2012-04-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
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3RX4
 | | Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide | | Descriptor: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | | Deposit date: | 2011-05-10 | | Release date: | 2011-11-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
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3RX2
 | | Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone | | Descriptor: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | | Deposit date: | 2011-05-10 | | Release date: | 2011-11-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase
Febs Lett., 586, 2012
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3NDQ
 | | Structure of Human TFIIS Domain II | | Descriptor: | SODIUM ION, Transcription elongation factor A protein 1 | | Authors: | Hu, X.P, Averell, G, Ye, X.Y, Hou, J, Luo, H. | | Deposit date: | 2010-06-07 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.933 Å) | | Cite: | Structure of Human TFIIS Domain II
To be Published
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