4GEO
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![BU of 4geo by Molmil](/molmil-images/mine/4geo) | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) | 分子名称: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Livnah, O, Tzarum, N. | 登録日 | 2012-08-02 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) To be Published
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5FWL
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![BU of 5fwl by Molmil](/molmil-images/mine/5fwl) | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | 著者 | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | 登録日 | 2016-02-18 | 公開日 | 2016-07-06 | 最終更新日 | 2019-10-23 | 実験手法 | ELECTRON MICROSCOPY (9 Å) | 主引用文献 | Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
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6HHH
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![BU of 6hhh by Molmil](/molmil-images/mine/6hhh) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 31 | 分子名称: | RAC-alpha serine/threonine-protein kinase, ~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | 登録日 | 2018-08-28 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6ZQS
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![BU of 6zqs by Molmil](/molmil-images/mine/6zqs) | Crystal structure of double-phosphorylated p38alpha with ATF2(83-102) | 分子名称: | 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Cyclic AMP-dependent transcription factor ATF-2, Mitogen-activated protein kinase 14 | 著者 | Kirsch, K, Sok, P, Poti, A.L, Remenyi, A. | 登録日 | 2020-07-10 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38. Nat Commun, 11, 2020
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5FWM
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![BU of 5fwm by Molmil](/molmil-images/mine/5fwm) | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | 著者 | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | 登録日 | 2016-02-18 | 公開日 | 2016-07-06 | 最終更新日 | 2019-10-23 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
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4YDY
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5FWP
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![BU of 5fwp by Molmil](/molmil-images/mine/5fwp) | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | 著者 | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | 登録日 | 2016-02-18 | 公開日 | 2016-10-26 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (7.2 Å) | 主引用文献 | Atomic Structure of Hsp90:Cdc37:Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
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4EWQ
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![BU of 4ewq by Molmil](/molmil-images/mine/4ewq) | Human p38 alpha MAPK in complex with a pyridazine based inhibitor | 分子名称: | 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ... | 著者 | Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-04-27 | 公開日 | 2012-06-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
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4EH9
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![BU of 4eh9 by Molmil](/molmil-images/mine/4eh9) | Human p38 MAP kinase in complex with NP-F11 and RL87 | 分子名称: | (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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6HHG
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![BU of 6hhg by Molmil](/molmil-images/mine/6hhg) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 | 分子名称: | RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | 登録日 | 2018-08-28 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6Y85
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![BU of 6y85 by Molmil](/molmil-images/mine/6y85) | |
6Y7Z
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![BU of 6y7z by Molmil](/molmil-images/mine/6y7z) | |
5FWK
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![BU of 5fwk by Molmil](/molmil-images/mine/5fwk) | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | 著者 | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | 登録日 | 2016-02-17 | 公開日 | 2016-07-06 | 最終更新日 | 2019-08-21 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
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6HHF
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![BU of 6hhf by Molmil](/molmil-images/mine/6hhf) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | 分子名称: | Borussertib, RAC-alpha serine/threonine-protein kinase | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | 登録日 | 2018-08-28 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
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7SII
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![BU of 7sii by Molmil](/molmil-images/mine/7sii) | Human STING bound to both cGAMP and 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide (Compound 53) | 分子名称: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, Stimulator of interferon genes protein, cGAMP | 著者 | Lu, D, Shang, G, Jie, L, Lu, Y, Bai, X.C, Zhang, X. | 登録日 | 2021-10-14 | 公開日 | 2022-02-02 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | Activation of STING by targeting a pocket in the transmembrane domain. Nature, 604, 2022
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4EH5
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![BU of 4eh5 by Molmil](/molmil-images/mine/4eh5) | Human p38 MAP kinase in complex with NP-F4 and RL87 | 分子名称: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, benzyl pyridine-3-carboxylate | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EH2
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![BU of 4eh2 by Molmil](/molmil-images/mine/4eh2) | Human p38 MAP kinase in complex with NP-F1 and RL87 | 分子名称: | 3-phenylquinazolin-4(3H)-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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7VO6
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4EH6
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![BU of 4eh6 by Molmil](/molmil-images/mine/4eh6) | Human p38 MAP kinase in complex with NP-F5 and RL87 | 分子名称: | Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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5AX3
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![BU of 5ax3 by Molmil](/molmil-images/mine/5ax3) | Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors. | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 1, allosteric and ATP-competitive inhibitor | 著者 | Kinoshita, T, Sugiyama, H, Mori, Y, Takahashi, N, Tomonaga, A. | 登録日 | 2015-07-14 | 公開日 | 2016-02-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.984 Å) | 主引用文献 | Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay Bioorg.Med.Chem.Lett., 26, 2016
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4EH7
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![BU of 4eh7 by Molmil](/molmil-images/mine/4eh7) | Human p38 MAP kinase in complex with NP-F6 and RL87 | 分子名称: | (3-phenoxyphenyl)methanol, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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2F8X
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![BU of 2f8x by Molmil](/molmil-images/mine/2f8x) | Crystal structure of activated Notch, CSL and MAML on HES-1 promoter DNA sequence | 分子名称: | 5'-D(*GP*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*AP*AP*A)-3', 5'-D(*TP*TP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*TP*AP*AP*C)-3', Mastermind-like protein 1, ... | 著者 | Nam, Y, Sliz, P, Blacklow, S.C. | 登録日 | 2005-12-04 | 公開日 | 2006-04-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Structural basis for cooperativity in recruitment of MAML coactivators to Notch transcription complexes. Cell(Cambridge,Mass.), 124, 2006
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5PZS
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![BU of 5pzs by Molmil](/molmil-images/mine/5pzs) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea | 分子名称: | Fructose-1,6-bisphosphatase 1, N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) | 著者 | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | 登録日 | 2017-04-11 | 公開日 | 2019-01-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.368 Å) | 主引用文献 | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea To be published
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5Q06
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![BU of 5q06 by Molmil](/molmil-images/mine/5q06) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylurea | 分子名称: | Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide | 著者 | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | 登録日 | 2017-04-18 | 公開日 | 2019-01-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylurea To be published
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5Q05
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![BU of 5q05 by Molmil](/molmil-images/mine/5q05) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea | 分子名称: | Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide | 著者 | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | 登録日 | 2017-04-20 | 公開日 | 2019-01-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea To be published
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