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7VTV
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BU of 7vtv by Molmil
Crystal structure of PDE8A catalytic domain in complex with 15
Descriptor: 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B.
Deposit date:2021-10-31
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia
To Be Published
7VTX
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BU of 7vtx by Molmil
Crystal structure of PDE8A catalytic domain in complex with 22
Descriptor: 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(pyridin-4-yl)benzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B.
Deposit date:2021-10-31
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.50010943 Å)
Cite:Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia
To Be Published
7VSL
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BU of 7vsl by Molmil
Crystal structure of PDE8A catalytic domain in complex with 10
Descriptor: 2-chloro-9-(3-(2,2-difluoroethoxy)benzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B.
Deposit date:2021-10-26
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.500069 Å)
Cite:Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia
To Be Published
7VTW
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BU of 7vtw by Molmil
Crystal structure of PDE8A catalytic domain in complex with 17
Descriptor: 2-chloro-9-(3-(2,2-difluoroethoxy)-5-isopropoxybenzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B.
Deposit date:2021-10-31
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79971337 Å)
Cite:Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia
To Be Published
7CWG
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BU of 7cwg by Molmil
Crystal structure of PDE8A catalytic domain in complex with 3a
Descriptor: 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B.
Deposit date:2020-08-28
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020
7CWA
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BU of 7cwa by Molmil
Crystal structure of PDE8A catalytic domain in complex with clofarabine
Descriptor: 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B.
Deposit date:2020-08-27
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020
7CWF
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BU of 7cwf by Molmil
Crystal structure of PDE8A catalytic domain in complex with 2c
Descriptor: 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B.
Deposit date:2020-08-28
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020

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