6UO8
 
 | | Human metabotropic GABA(B) receptor bound to agonist SKF97541 and positive allosteric modulator GS39783 | | 分子名称: | (R)-(3-aminopropyl)methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Shaye, H, Han, G.W, Gati, C, Cherezov, V. | | 登録日 | 2019-10-14 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-08-26 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
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6UOA
 | | Human metabotropic GABA(B) receptor in its intermediate 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, Gamma-aminobutyric acid type B receptor subunit 1, ... | | 著者 | Shaye, H, Han, G.W, Gati, C, Cherezov, V. | | 登録日 | 2019-10-14 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-08-26 | | 実験手法 | ELECTRON MICROSCOPY (6.3 Å) | | 主引用文献 | Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
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6UO9
 | | Human metabotropic GABA(B) receptor bound to agonist SKF97541 in its intermediate state 2 | | 分子名称: | (R)-(3-aminopropyl)methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Shaye, H, Han, G.W, Gati, C, Cherezov, V. | | 登録日 | 2019-10-14 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-08-26 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
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6VJM
 | | Human metabotropic GABA(B) receptor in its apo state | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Shaye, H, Han, G.W, Gati, C, Cherezov, V. | | 登録日 | 2020-01-16 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-08-26 | | 実験手法 | ELECTRON MICROSCOPY (3.97 Å) | | 主引用文献 | Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
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2X8D
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | 分子名称: | 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | 登録日 | 2010-03-08 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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2X8E
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | 分子名称: | 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | 登録日 | 2010-03-09 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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2X8I
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | 分子名称: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | | 登録日 | 2010-03-09 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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2YEX
 | | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | | 分子名称: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | | 登録日 | 2011-03-31 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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2YER
 | | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. | | 登録日 | 2011-03-30 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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2YDI
 | | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | | 分子名称: | 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | 登録日 | 2011-03-21 | | 公開日 | 2012-04-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
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2W17
 | | CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b | | 分子名称: | ACETATE ION, CELL DIVISION PROTEIN KINASE 2, N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine | | 著者 | Jones, C.D, Andrews, D.M, Barker, A.J, Blades, K, Daunt, P, East, S, Geh, C, Graham, M.A, Johnson, K.M, Loddick, S.A, McFarland, H.M, McGregor, A, Moss, L, Rudge, D.A, Simpson, P.B, Swain, M.L, Tam, K.Y, Tucker, J.A, Walker, M, Brassington, C, Haye, H, McCall, E. | | 登録日 | 2008-10-15 | | 公開日 | 2008-11-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The Discovery of Azd5597, a Potent Imidazole Pyrimidine Amide Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem.Lett., 18, 2008
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2YDJ
 | | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | | 分子名称: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | 登録日 | 2011-03-22 | | 公開日 | 2012-01-25 | | 最終更新日 | 2019-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
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2YDK
 | | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | | 分子名称: | 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | 登録日 | 2011-03-22 | | 公開日 | 2012-04-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
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7SK2
 | | Human wildtype GABA reuptake transporter 1 in complex with tiagabine, inward-open conformation | | 分子名称: | Sodium- and chloride-dependent GABA transporter 1, Tiagabine | | 著者 | Gati, C, Motiwala, Z, Aduri, N.G, Shaye, H, Han, G.W, Cherezov, V. | | 登録日 | 2021-10-19 | | 公開日 | 2022-06-08 | | 最終更新日 | 2022-07-06 | | 実験手法 | ELECTRON MICROSCOPY (3.82 Å) | | 主引用文献 | Structural basis of GABA reuptake inhibition.
Nature, 606, 2022
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7JNI
 | | Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, HEXANE-1,6-DIOL, ... | | 著者 | Cherezov, V, Shaye, H, Han, G.W. | | 登録日 | 2020-08-04 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma.
Proc.Natl.Acad.Sci.USA, 119, 2022
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