3R8G
| AKR1C3 complex with ibuprofen | Descriptor: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | Authors: | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | Deposit date: | 2011-03-24 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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3R6I
| AKR1C3 complex with meclofenamic acid | Descriptor: | 1,2-ETHANEDIOL, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, ... | Authors: | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | Deposit date: | 2011-03-21 | Release date: | 2012-05-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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3R8H
| AKR1C3 complex with zomepirac | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | Deposit date: | 2011-03-24 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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5UR1
| FGFR1 kinase domain complex with SN37333 in reversible binding mode | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | Authors: | Yosaatmadja, Y, Paik, W.-K, Smaill, J.B, Squire, C.J. | Deposit date: | 2017-02-09 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Oxo-3, 4-dihydropyrimido[4, 5-d]pyrimidinyl derivatives as new irreversible pan fibroblast growth factor receptor (FGFR) inhibitors. Eur J Med Chem, 135, 2017
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6OTN
| Crystal Structure of an N-terminal Fragment of Cancer Associated Tropomyosin 3.1 (Tpm3.1) | Descriptor: | SULFATE ION, Tropomyosin alpha-3 chain | Authors: | Rynkiewicz, M.J, Ghosh, A, Lehman, W.J, Janco, M, Gunning, P.W. | Deposit date: | 2019-05-03 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular integration of the anti-tropomyosin compound ATM-3507 into the coiled coil overlap region of the cancer-associated Tpm3.1. Sci Rep, 9, 2019
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5G55
| 3-Quinoline Carboxamides inhibitors of Pi3K | Descriptor: | 6-cyano-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Edman, K, Phillips, C. | Deposit date: | 2016-05-20 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (Atm) Kinase. J.Med.Chem., 59, 2016
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2UZ8
| The crystal structure of p18, human translation elongation factor 1 epsilon 1 | Descriptor: | EUKARYOTIC TRANSLATION ELONGATION FACTOR 1 EPSILON-1, GLYCEROL | Authors: | Kang, B.S, Kim, K.J, Kim, M.H, Oh, Y.S, Kim, S. | Deposit date: | 2007-04-26 | Release date: | 2008-03-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Determination of Three-Dimensional Structure and Residues of the Novel Tumor Suppressor Aimp3/P18 Required for the Interaction with Atm. J.Biol.Chem., 283, 2008
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3UOT
| Crystal Structure of MDC1 FHA Domain in Complex with a Phosphorylated Peptide from the MDC1 N-terminus | Descriptor: | Mediator of DNA damage checkpoint protein 1 | Authors: | Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. | Deposit date: | 2011-11-17 | Release date: | 2011-12-28 | Last modified: | 2012-07-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator. Nucleic Acids Res., 40, 2012
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3UN0
| Crystal Structure of MDC1 FHA Domain | Descriptor: | Mediator of DNA damage checkpoint protein 1, SULFATE ION | Authors: | Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. | Deposit date: | 2011-11-15 | Release date: | 2011-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator. Nucleic Acids Res., 40, 2012
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4NCI
| Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation | Descriptor: | DNA double-strand break repair Rad50 ATPase | Authors: | Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S. | Deposit date: | 2013-10-24 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J., 33, 2014
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4NCJ
| Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation with ADP Beryllium Flouride | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA double-strand break repair Rad50 ATPase, ... | Authors: | Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S. | Deposit date: | 2013-10-24 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J., 33, 2014
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4NCK
| Crystal Structure of Pyrococcus furiosis Rad50 R797G mutation | Descriptor: | CHLORIDE ION, DNA double-strand break repair Rad50 ATPase, MAGNESIUM ION, ... | Authors: | Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S. | Deposit date: | 2013-10-24 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J., 33, 2014
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4NCH
| Crystal Structure of Pyrococcus furiosis Rad50 L802W mutation | Descriptor: | DNA double-strand break repair Rad50 ATPase, SULFATE ION | Authors: | Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S. | Deposit date: | 2013-10-24 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J., 33, 2014
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8HLT
| The co-crystal structure of DYRK2 with YK-2-99B | Descriptor: | (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N. | Deposit date: | 2022-12-01 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer. J.Med.Chem., 66, 2023
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7EJV
| The co-crystal structure of DYRK2 with YK-2-69 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | Authors: | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | Deposit date: | 2021-04-02 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer. Nat Commun, 13, 2022
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6SKY
| FAT and kinase domain of CtTel1 | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | Authors: | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | Deposit date: | 2019-08-16 | Release date: | 2019-10-30 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State. Structure, 28, 2020
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6UVQ
| Crystal structure of Apo AtmM | Descriptor: | ACETATE ION, D-glucose O-methyltransferase, MAGNESIUM ION | Authors: | Alvarado, S.K, Wang, Z, Miller, M.D, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2019-11-04 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure of Apo AtmM To Be Published
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6UWD
| Crystal structure of Apo AtmM | Descriptor: | ACETATE ION, D-glucose O-methyltransferase, MAGNESIUM ION | Authors: | Alvarado, S.K, Wang, Z, Miller, M.D, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2019-11-05 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of Apo AtmM To Be Published
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6SL0
| Complete CtTel1 dimer with C2 symmetry | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | Authors: | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | Deposit date: | 2019-08-16 | Release date: | 2019-10-30 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State. Structure, 28, 2020
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6SKZ
| Structure of the closed conformation of CtTel1 | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | Authors: | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | Deposit date: | 2019-08-16 | Release date: | 2019-10-30 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State. Structure, 28, 2020
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6SL1
| Structure of the open conformation of CtTel1 | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | Authors: | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | Deposit date: | 2019-08-16 | Release date: | 2019-10-30 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State. Structure, 28, 2020
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7X3L
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | Descriptor: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7X3M
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | Descriptor: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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6EHA
| Heme oxygenase 1 in complex with inhibitor | Descriptor: | 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Grudnik, P, Mieczkowski, M. | Deposit date: | 2017-09-12 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment. Arch.Biochem.Biophys., 671, 2019
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9BLG
| Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892 | Descriptor: | (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Bester, S.M, Wu, W.-I, Mou, T.-C. | Deposit date: | 2024-04-30 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy. Cancer Discov, 13, 2023
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