3OPM
 
 | | Crystal Structure of Human DPP4 Bound to TAK-294 | | 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-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide, ... | | 著者 | Yano, J.K, Aertgeerts, K. | | 登録日 | 2010-09-01 | | 公開日 | 2011-10-19 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Identification of 3-aminomethyl-1,2-dihydro-4-phenyl-1-isoquinolones: a new class of potent, selective, and orally active non-peptide dipeptidyl peptidase IV inhibitors that form a unique interaction with Lys554.
Bioorg.Med.Chem., 19, 2011
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3OXT
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3OOG
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3OWP
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3OW3
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | 分子名称: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | 登録日 | 2010-09-17 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3OVV
 | | Human cAMP-dependent protein kinase in complex with an inhibitor | | 分子名称: | (2S,3S)-butane-2,3-diol, N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-09-17 | | 公開日 | 2011-09-21 | | 最終更新日 | 2013-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | fragment based drug design on PKA
To be Published
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3P0M
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3Q0T
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3POO
 | | human cAMP-dependent protein kinase in complex with an inhibitor | | 分子名称: | (2S,3S)-butane-2,3-diol, N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-11-23 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | fragment based drug design on PKA
To be Published
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3PVB
 | | Crystal structure of (73-244)RIa:C holoenzyme of cAMP-dependent Protein kinase | | 分子名称: | GLYCEROL, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Boettcher, A.J, Wu, J, Kim, C, Yang, J, Bruystens, J, Cheung, N, Pennypacker, J.K, Blumenthal, D.A, Kornev, A.P, Taylor, S.S. | | 登録日 | 2010-12-06 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Crystal structure of (73-244)RIa:C holoenzyme of cAMP-dependent Protein kinase
Structure, 19, 2011
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3Q8W
 | | A b-aminoacyl containing thiazolidine derivative and DPPIV complex | | 分子名称: | Dipeptidyl peptidase 4, N-(4-{[({(2R)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine | | 著者 | Lee, J.O, Song, D.H. | | 登録日 | 2011-01-07 | | 公開日 | 2011-03-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (3.64 Å) | | 主引用文献 | Discovery of b-aminoacyl containing thiazolidine derivatives as potent and selective dipeptidyl peptidase IV inhibitors
To be Published
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3QAM
 | | Crystal Structure of Glu208Ala mutant of catalytic subunit of cAMP-dependent protein kinase | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ... | | 著者 | Yang, J, Wu, J, Steichen, J, Taylor, S.S. | | 登録日 | 2011-01-11 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold.
J.Mol.Biol., 415, 2012
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3QBJ
 | | Crystal structure of dipeptidyl peptidase IV in complex with inhibitor | | 分子名称: | 1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one, 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 | Liu, S.P. | | 登録日 | 2011-01-13 | | 公開日 | 2012-01-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Crystal structure of dipeptidyl peptidase IV in complex with inhibitor
To be Published
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3QAL
 | | Crystal Structure of Arg280Ala mutant of Catalytic subunit of cAMP-dependent Protein Kinase | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ... | | 著者 | Yang, J, Wu, J, Steichen, J, Taylor, S.S. | | 登録日 | 2011-01-11 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold.
J.Mol.Biol., 415, 2012
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3RLA
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7Z3P
 | | Crystal structure of the mouse leptin:LepR-CRH2 encounter complex to 1.95 A resolution. | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Leptin, ... | | 著者 | Tsirigotaki, A, Verschueren, K, Savvides, S.N, Verstraete, K. | | 登録日 | 2022-03-02 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.943 Å) | | 主引用文献 | Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
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7Z3Q
 | | Crystal structure of the human leptin:LepR-CRH2 encounter complex to 3.6 A resolution. | | 分子名称: | Leptin, Leptin receptor | | 著者 | Verstraete, K, Verschueren, K, Alexandra, T, Savvides, S.N. | | 登録日 | 2022-03-02 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.617 Å) | | 主引用文献 | Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
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6SOX
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-carbamoylbenzoic acid | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-aminocarbonylbenzoic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-08-30 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SPS
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzamide | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(trifluoromethyl)benzamide, DIMETHYL SULFOXIDE, ... | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-09-02 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SNX
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzamide | | 分子名称: | BENZAMIDE, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-08-27 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SPY
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 6-(morpholin-4-yl)pyridine-3-carboxamide | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-morpholin-4-ylpyridine-3-carboxamide, DIMETHYL SULFOXIDE, ... | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-09-03 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SNN
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzoic acid | | 分子名称: | BENZOIC ACID, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Oebbeke, M, Merkl, S, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-08-27 | | 公開日 | 2020-09-09 | | 最終更新日 | 2020-12-30 | | 実験手法 | X-RAY DIFFRACTION (1.817 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SPM
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzoic acid | | 分子名称: | 4-(trifluoromethyl)benzoic acid, DIMETHYL SULFOXIDE, METHANOL, ... | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-09-02 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SPU
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 3-aminobenzoic acid | | 分子名称: | 3-AMINOBENZOIC ACID, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-09-02 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SQ1
 | | Crystal structure of cAMP-dependent Protein Kinase A (CHO PKA) in complex with Aminofasudil | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, DIMETHYL SULFOXIDE, ... | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-09-03 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | A crystallographic study of cAMP-dependent Protein Kinase A in complex with different Fasudil-derivatives
To Be Published
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