1VZO
| The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory conformation for a dual kinase protein | Descriptor: | BETA-MERCAPTOETHANOL, RIBOSOMAL PROTEIN S6 KINASE ALPHA 5, SULFATE ION | Authors: | Smith, K.J, Carter, P.S, Bridges, A, Horrocks, P, Lewis, C, Pettman, G, Clarke, A, Brown, M, Hughes, J, Wilkinson, M, Bax, B, Reith, A. | Deposit date: | 2004-05-21 | Release date: | 2004-06-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of Msk1 Reveals a Novel Autoinhibitory Conformation for a Dual Kinase Protein Structure, 12, 2004
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1HE7
| Human Nerve growth factor receptor TrkA | Descriptor: | GLYCEROL, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR | Authors: | Banfield, M, Robertson, A, Allen, S, Dando, J, Tyler, S, Bennett, G, Brain, S, Mason, G, Holden, P, Clarke, A, Naylor, R, Wilcock, G, Brady, R, Dawbarn, D. | Deposit date: | 2000-11-20 | Release date: | 2001-04-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and Structure of the Nerve Growth Factor Binding Site on Trka. Biochem.Biophys.Res.Commun., 282, 2001
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6O2Z
| Crystal structure of IDH1 R132H mutant in complex with compound 32 | Descriptor: | 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Toms, A.V, Lin, J. | Deposit date: | 2019-02-25 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J.Med.Chem., 62, 2019
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6O2Y
| Crystal structure of IDH1 R132H mutant in complex with compound 24 | Descriptor: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Toms, A.V, Lin, J. | Deposit date: | 2019-02-25 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J.Med.Chem., 62, 2019
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6U4J
| Crystal structure of IDH1 R132H mutant in complex with FT-2102 | Descriptor: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile, CHLORIDE ION, CITRATE ANION, ... | Authors: | Toms, A.V, Lin, J. | Deposit date: | 2019-08-25 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J.Med.Chem., 63, 2020
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5JFT
| Zebra Fish Caspase-3 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ... | Authors: | Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C. | Deposit date: | 2016-04-19 | Release date: | 2016-10-26 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish. Protein Sci., 25, 2016
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2IC3
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2IAJ
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4JAI
| Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Descriptor: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4JAJ
| Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE | Descriptor: | Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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7N91
| P70 S6K1 IN COMPLEX WITH MSC2317067A-1 | Descriptor: | 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | Authors: | Mochalkin, I. | Deposit date: | 2021-06-16 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J.Med.Chem., 64, 2021
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7N93
| P70 S6K1 IN COMPLEX WITH MSC2363318A-1 | Descriptor: | 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | Authors: | Mochalkin, I. | Deposit date: | 2021-06-16 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J.Med.Chem., 64, 2021
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5JP6
| Bdellovibrio bacteriovorus peptidoglycan deacetylase Bd3279 | Descriptor: | MAGNESIUM ION, Putative polysaccharide deacetylase, ZINC ION | Authors: | Lovering, A.L. | Deposit date: | 2016-05-03 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Interrupting peptidoglycan deacetylation during Bdellovibrio predator-prey interaction prevents ultimate destruction of prey wall, liberating bacterial-ghosts. Sci Rep, 6, 2016
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