9AZA
 
 | | Crystal structure of LolTv4 | | 分子名称: | Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Gao, J, Hai, Y. | | 登録日 | 2024-03-10 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
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4DCH
 | | Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations | | 分子名称: | (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | | 著者 | Greasley, S.E, Hickey, M, Feng, J, Garcia, E. | | 登録日 | 2012-01-17 | | 公開日 | 2012-02-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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4G2L
 | | Human PDE9 in complex with selective compound | | 分子名称: | 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-07-12 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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4G2J
 | | Human pde9 in complex with selective compound | | 分子名称: | 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-07-12 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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4E90
 | | Human phosphodiesterase 9 in complex with inhibitors | | 分子名称: | 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-03-20 | | 公開日 | 2013-02-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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7BU0
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8IVQ
 | | Cryo-EM structure of mouse BIRC6, Global map | | 分子名称: | Isoform 2 of Baculoviral IAP repeat-containing protein 6 | | 著者 | Liu, S, Jiang, T, Bu, F, Zhao, J, Wang, G, Li, N, Gao, N, Qiu, X. | | 登録日 | 2023-03-28 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Molecular mechanisms underlying the BIRC6-mediated regulation of apoptosis and autophagy.
Nat Commun, 15, 2024
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5Y6D
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5Y6E
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7WT9
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7WT7
 | | SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 9A8, ... | | 著者 | Wang, X, Wang, L. | | 登録日 | 2022-02-04 | | 公開日 | 2023-06-07 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
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7WT8
 | | SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 2) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 9A8, ... | | 著者 | Wang, X, Wang, L. | | 登録日 | 2022-02-04 | | 公開日 | 2023-06-07 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
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6P5S
 | | HIPK2 kinase domain bound to CX-4945 | | 分子名称: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2 | | 著者 | Agnew, C, Liu, L, Jura, N. | | 登録日 | 2019-05-30 | | 公開日 | 2019-07-31 | | 最終更新日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | | 主引用文献 | The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region.
J.Biol.Chem., 294, 2019
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5FBO
 | | BTK-inhibitor co-structure | | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | 著者 | Fischmann, T.O. | | 登録日 | 2015-12-14 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.894 Å) | | 主引用文献 | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016
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5FBN
 | | BTK kinase domain with inhibitor 1 | | 分子名称: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | | 著者 | Raaijmakers, H.C.A, Vu-Pham, D. | | 登録日 | 2015-12-14 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
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7AKG
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6GSY
 | | FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | | 分子名称: | GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3 | | 著者 | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | | 登録日 | 1996-01-26 | | 公開日 | 1996-11-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
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6GSV
 | | FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | | 分子名称: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION | | 著者 | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | | 登録日 | 1996-01-26 | | 公開日 | 1996-11-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
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6GSU
 | | FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | | 分子名称: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION | | 著者 | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | | 登録日 | 1996-01-26 | | 公開日 | 1996-11-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
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6GSW
 | | FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | | 分子名称: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION | | 著者 | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | | 登録日 | 1996-01-26 | | 公開日 | 1996-11-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
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6GSX
 | | FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | | 分子名称: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION | | 著者 | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | | 登録日 | 1996-01-26 | | 公開日 | 1996-11-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
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6GST
 | | FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | | 分子名称: | GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3 | | 著者 | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | | 登録日 | 1996-01-26 | | 公開日 | 1996-11-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
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8YIK
 | | pP1192R-ATPase-domain | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA topoisomerase 2 | | 著者 | Sun, J.Q, Liu, R.L. | | 登録日 | 2024-02-29 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R.
Nucleic Acids Res., 2024
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8YGH
 | | pP1192R-apo open state | | 分子名称: | DNA topoisomerase 2 | | 著者 | Sun, J.Q, Liu, R.L. | | 登録日 | 2024-02-26 | | 公開日 | 2024-09-18 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R.
Nucleic Acids Res., 2024
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8YGG
 | | pP1192R-apo Closed state | | 分子名称: | DNA topoisomerase 2 | | 著者 | Sun, J.Q, Liu, R.L. | | 登録日 | 2024-02-26 | | 公開日 | 2024-09-18 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R.
Nucleic Acids Res., 2024
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