3EEF
| Crystal structure of N-carbamoylsarcosine amidase from thermoplasma acidophilum | 分子名称: | N-carbamoylsarcosine amidase related protein, ZINC ION | 著者 | Luo, H.-B, Zheng, H, Chruszcz, M, Zimmerman, M.D, Skarina, T, Egorova, O, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2008-09-04 | 公開日 | 2008-09-16 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal structure and molecular modeling study of N-carbamoylsarcosine amidase Ta0454 from Thermoplasma acidophilum. J.Struct.Biol., 169, 2010
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7BPI
| The crystal structue of PDE10A complexed with 14 | 分子名称: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | 登録日 | 2020-03-22 | 公開日 | 2021-01-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4000864 Å) | 主引用文献 | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B, 10, 2020
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8YLC
| The crystal structure of PDE4D with Amentoflavone | 分子名称: | 3',5'-cyclic-AMP phosphodiesterase 4D, 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, Luo, H.-B. | 登録日 | 2024-03-06 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.30003715 Å) | 主引用文献 | Discovery of amentoflavone as a natural PDE4 inhibitor with anti-fibrotic effects Chin.Chem.Lett., 2024
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3ICC
| Crystal structure of a putative 3-oxoacyl-(acyl carrier protein) reductase from Bacillus anthracis at 1.87 A resolution | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Hou, J, Chruszcz, M, Zheng, H, Cymborowski, M, Luo, H.-B, Skarina, T, Gordon, S, Savchenko, A, Edwards, A.M, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2009-07-17 | 公開日 | 2009-07-28 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structure of a short-chain dehydrogenase/reductase from Bacillus anthracis. Acta Crystallogr.,Sect.F, 68, 2012
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3N3Z
| Crystal structure of PDE9A (E406A) mutant in complex with IBMX | 分子名称: | 3-ISOBUTYL-1-METHYLXANTHINE, CHLORIDE ION, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | 著者 | Hou, J, Luo, H.-B, Chen, Y, Xu, J, Zhao, R, Zou, L. | 登録日 | 2010-05-21 | 公開日 | 2011-04-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal structure of PDE9A (E406A) mutation in complex with IBMX To be Published
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7W4Y
| Crystal structure of PDE4D catalytic domain complexed with 33a | 分子名称: | (2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Huang, Y.-Y, Luo, H.-B. | 登録日 | 2021-11-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.10002947 Å) | 主引用文献 | Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis. J.Med.Chem., 65, 2022
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7W4X
| Crystal structure of PDE4D catalytic domain complexed with 17 | 分子名称: | (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Huang, Y.-Y, Luo, H.-B. | 登録日 | 2021-11-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.20007324 Å) | 主引用文献 | Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis. J.Med.Chem., 65, 2022
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7XBB
| Crystal structure of PDE4D catalytic domain complexed with compound 23a | 分子名称: | (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, Luo, H.-B. | 登録日 | 2022-03-21 | 公開日 | 2022-07-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.100009 Å) | 主引用文献 | Structure-based optimization of Toddacoumalone as highly potent and selective PDE4 inhibitors with anti-inflammatory effects. Biochem Pharmacol, 202, 2022
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7XAB
| Crystal structure of PDE4D catalytic domain complexed with compound 22d | 分子名称: | 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2022-03-17 | 公開日 | 2023-02-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.00067449 Å) | 主引用文献 | Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases. Eur.J.Med.Chem., 242, 2022
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7XAA
| Crystal structure of PDE4D catalytic domain complexed with compound 21d | 分子名称: | 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2022-03-17 | 公開日 | 2023-02-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.100414 Å) | 主引用文献 | Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases. Eur.J.Med.Chem., 242, 2022
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7VTV
| Crystal structure of PDE8A catalytic domain in complex with 15 | 分子名称: | 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, ... | 著者 | Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. | 登録日 | 2021-10-31 | 公開日 | 2022-11-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia To Be Published
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7VTX
| Crystal structure of PDE8A catalytic domain in complex with 22 | 分子名称: | 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, ... | 著者 | Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. | 登録日 | 2021-10-31 | 公開日 | 2022-11-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.50010943 Å) | 主引用文献 | Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia To Be Published
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7VSL
| Crystal structure of PDE8A catalytic domain in complex with 10 | 分子名称: | 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, ... | 著者 | Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. | 登録日 | 2021-10-26 | 公開日 | 2022-11-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.500069 Å) | 主引用文献 | Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia To Be Published
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7VTW
| Crystal structure of PDE8A catalytic domain in complex with 17 | 分子名称: | 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, ... | 著者 | Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. | 登録日 | 2021-10-31 | 公開日 | 2022-11-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.79971337 Å) | 主引用文献 | Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia To Be Published
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7CWA
| Crystal structure of PDE8A catalytic domain in complex with clofarabine | 分子名称: | 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, ... | 著者 | Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. | 登録日 | 2020-08-27 | 公開日 | 2021-09-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J.Med.Chem., 63, 2020
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7CWG
| Crystal structure of PDE8A catalytic domain in complex with 3a | 分子名称: | 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, ... | 著者 | Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. | 登録日 | 2020-08-28 | 公開日 | 2021-09-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J.Med.Chem., 63, 2020
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7CWF
| Crystal structure of PDE8A catalytic domain in complex with 2c | 分子名称: | 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, ... | 著者 | Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. | 登録日 | 2020-08-28 | 公開日 | 2021-09-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J.Med.Chem., 63, 2020
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7F2L
| Crystal structure of PDE4D catalytic domain complexed with compound 18a | 分子名称: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2021-06-11 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.10111427 Å) | 主引用文献 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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7F2M
| Crystal structure of PDE4D catalytic domain complexed with compound 18d | 分子名称: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2021-06-11 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.20004153 Å) | 主引用文献 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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7F2K
| Crystal structure of PDE4D catalytic domain complexed with compound 17a | 分子名称: | (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2021-06-11 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.10001969 Å) | 主引用文献 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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3V4E
| Crystal Structure of the galactoside O-acetyltransferase in complex with CoA | 分子名称: | COENZYME A, DI(HYDROXYETHYL)ETHER, Galactoside O-acetyltransferase, ... | 著者 | Knapik, A.A, Shumilin, I.A, Luo, H.-B, Chruszcz, M, Zimmerman, M.D, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2011-12-14 | 公開日 | 2012-01-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Biophysical analysis of the putative acetyltransferase SACOL2570 from methicillin-resistant Staphylococcus aureus. J.Struct.Funct.Genom., 14, 2013
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6KK0
| Crystal structure of PDE4D catalytic domain complexed with compound 4e | 分子名称: | 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid, MAGNESIUM ION, ZINC ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2019-07-23 | 公開日 | 2020-03-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.20008755 Å) | 主引用文献 | Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia. J.Med.Chem., 63, 2020
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6KO0
| The crystal structue of PDE10A complexed with 1i | 分子名称: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | 登録日 | 2019-08-07 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.600029 Å) | 主引用文献 | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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6KO1
| The crystal structue of PDE10A complexed with 2d | 分子名称: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | 登録日 | 2019-08-07 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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6KJZ
| Crystal structure of PDE4D catalytic domain complexed with compound 1 | 分子名称: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2019-07-23 | 公開日 | 2020-03-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.200001 Å) | 主引用文献 | Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia. J.Med.Chem., 63, 2020
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