7MCK
 
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18 | | 分子名称: | N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R. | | 登録日 | 2021-04-02 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Rsc Med Chem, 12, 2021
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7M2F
 | | CDK2 with compound 14 inhibitor with carboxylate | | 分子名称: | Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid | | 著者 | Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y. | | 登録日 | 2021-03-16 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.632 Å) | | 主引用文献 | Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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2GCD
 | | TAO2 kinase domain-staurosporine structure | | 分子名称: | STAUROSPORINE, Serine/threonine-protein kinase TAO2 | | 著者 | Zhou, T, Sun, L, Gao, Y, Earnest, S, Cobb, M.H, Goldsmith, E.J. | | 登録日 | 2006-03-14 | | 公開日 | 2006-09-05 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal structure of the MAP3K TAO2 kinase domain bound by an inhibitor staurosporine.
Acta Biochim.Biophys.Sinica, 38, 2006
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2GDO
 | | 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors | | 分子名称: | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Le, V, Dove, J, Fang, E, Bussiere, D.E. | | 登録日 | 2006-03-16 | | 公開日 | 2007-03-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | 4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2GHG
 | | h-CHK1 complexed with A431994 | | 分子名称: | 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Serine/threonine-protein kinase Chk1 | | 著者 | Park, C. | | 登録日 | 2006-03-27 | | 公開日 | 2007-03-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers.
Bioorg.Med.Chem.Lett., 16, 2006
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2GHM
 | | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 | | 分子名称: | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | | 著者 | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A. | | 登録日 | 2006-03-27 | | 公開日 | 2006-05-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Bioorg.Med.Chem.Lett., 16, 2006
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2GNI
 | | PKA fivefold mutant model of Rho-kinase with inhibitor Fasudil (HA1077) | | 分子名称: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | 著者 | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | 登録日 | 2006-04-10 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2GNL
 | | PKA threefold mutant model of Rho-kinase with inhibitor H-1152P | | 分子名称: | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | 著者 | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | 登録日 | 2006-04-10 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2GNF
 | | Protein kinase A fivefold mutant model of Rho-kinase with Y-27632 | | 分子名称: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | 著者 | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | 登録日 | 2006-04-10 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2GNG
 | | Protein kinase A fivefold mutant model of Rho-kinase | | 分子名称: | cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, alpha-catalytic subunit | | 著者 | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | 登録日 | 2006-04-10 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2GNJ
 | | PKA three fold mutant model of Rho-kinase with Y-27632 | | 分子名称: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | 著者 | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | 登録日 | 2006-04-10 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2GNH
 | | PKA five fold mutant model of Rho-kinase with H1152P | | 分子名称: | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | 著者 | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | 登録日 | 2006-04-10 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2GPH
 | | Docking motif interactions in the MAP kinase ERK2 | | 分子名称: | Mitogen-activated protein kinase 1, Tyrosine-protein phosphatase non-receptor type 7 | | 著者 | Zhou, T, Sun, L, Humphreys, J, Goldsmith, E.J. | | 登録日 | 2006-04-17 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Docking Interactions Induce Exposure of Activation Loop in the MAP Kinase ERK2.
Structure, 14, 2006
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2GTN
 | | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 | | 分子名称: | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, Mitogen-activated protein kinase 14, SULFATE ION | | 著者 | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | | 登録日 | 2006-04-28 | | 公開日 | 2006-07-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Bioorg.Med.Chem.Lett., 16, 2006
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2GU8
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2H96
 | | Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors | | 分子名称: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ... | | 著者 | Abad-Zapatero, C. | | 登録日 | 2006-06-09 | | 公開日 | 2006-07-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
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2H34
 | | Apoenzyme crystal structure of the tuberculosis serine/threonine kinase, PknE | | 分子名称: | BROMIDE ION, SODIUM ION, Serine/threonine-protein kinase pknE | | 著者 | Gay, L.M, Ng, H.L, Alber, T. | | 登録日 | 2006-05-22 | | 公開日 | 2006-07-18 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A Conserved Dimer and Global Conformational Changes in the Structure of apo-PknE Ser/Thr Protein Kinase from Mycobacterium tuberculosis.
J.Mol.Biol., 360, 2006
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2GTM
 | | Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 | | 分子名称: | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, Mitogen-activated protein kinase 14 | | 著者 | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | | 登録日 | 2006-04-28 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Bioorg.Med.Chem.Lett., 16, 2006
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2H9V
 | | Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632 | | 分子名称: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, Rho-associated protein kinase 2 | | 著者 | Yamaguchi, H, Miwa, Y, Kasa, M, Kitano, K, Amano, M, Kaibuchi, K, Hakoshima, T. | | 登録日 | 2006-06-12 | | 公開日 | 2006-12-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632
J.Biochem.(Tokyo), 140, 2006
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2GMX
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2H6D
 | | Protein Kinase Domain of the Human 5'-AMP-activated protein kinase catalytic subunit alpha-2 (AMPK alpha-2 chain) | | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | | 著者 | Littler, D.R, Walker, J.R, Wybenga-Groot, L, Newman, E.M, Butler-Cole, C, Mackenzie, F, Finerty, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2006-05-31 | | 公開日 | 2006-06-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A conserved mechanism of autoinhibition for the AMPK kinase domain: ATP-binding site and catalytic loop refolding as a means of regulation.
Acta Crystallogr.,Sect.F, 66, 2010
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2HOG
 | | crystal structure of Chek1 in complex with inhibitor 20 | | 分子名称: | (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL, Serine/threonine-protein kinase Chk1 | | 著者 | Yan, Y, Ikuta, M. | | 登録日 | 2006-07-14 | | 公開日 | 2007-04-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.
Bioorg.Med.Chem.Lett., 16, 2006
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2HXL
 | | crystal structure of Chek1 in complex with inhibitor 1 | | 分子名称: | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE, Serine/threonine-protein kinase Chk1 | | 著者 | Yan, Y. | | 登録日 | 2006-08-03 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2HY8
 | | PAK1 complex with ST2001 | | 分子名称: | (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE, Serine/threonine-protein kinase PAK 1 | | 著者 | Schulze-Gahmen, U, Lu, H. | | 登録日 | 2006-08-04 | | 公開日 | 2006-11-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of the Complex Between Human Pak1-kinase and 3-Hydroxystaurosporine
To be Published
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2HW7
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