8OI4
| Metagenomic Beta-galactosidase from Glycoside Hydrolase family GH154 | Descriptor: | Beta-galactosidase, CHLORIDE ION, GLYCEROL | Authors: | Pijning, T, Hameleers, L, Jurak, E, Guskov, A. | Deposit date: | 2023-03-22 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel beta-galactosidase activity and first crystal structure of Glycoside Hydrolase family 154. N Biotechnol, 80, 2023
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3PSA
| Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to tungstate) | Descriptor: | TUNGSTATE(VI)ION, protein HI_1472 | Authors: | Tirado-Lee, L, Lee, A, Rees, D.C, Pinkett, H.W. | Deposit date: | 2010-12-01 | Release date: | 2011-11-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA. Structure, 19, 2011
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3PSH
| Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to Molybdate) | Descriptor: | MOLYBDATE ION, protein HI_1472 | Authors: | Tirado-Lee, L, Lee, A, Rees, D.C, Pinkett, H.W. | Deposit date: | 2010-12-01 | Release date: | 2011-11-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA. Structure, 19, 2011
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4CPV
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2R2M
| 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors | Descriptor: | Hirudin-3A, N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | Authors: | Spurlino, J. | Deposit date: | 2007-08-27 | Release date: | 2008-08-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors Bioorg.Med.Chem.Lett., 17, 2007
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6XYC
| Truncated form of carbohydrate esterase from gut microbiota | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Acetyl xylan esterase | Authors: | Penttinen, L, Hakulinen, N, Master, E. | Deposit date: | 2020-01-30 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polysaccharide utilization loci-driven enzyme discovery reveals BD-FAE: a bifunctional feruloyl and acetyl xylan esterase active on complex natural xylans. Biotechnol Biofuels, 14, 2021
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6TKX
| Carbohydrate esterase from gut microbiota | Descriptor: | Carbohydrate esterase, SULFATE ION | Authors: | Penttinen, L, Hakulinen, N, Master, R.E. | Deposit date: | 2019-11-29 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Polysaccharide utilization loci-driven enzyme discovery reveals BD-FAE: a bifunctional feruloyl and acetyl xylan esterase active on complex natural xylans. Biotechnol Biofuels, 14, 2021
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6NUI
| Human Guanylate Kinase | Descriptor: | Guanylate kinase | Authors: | Sabo, T.M, Khan, N, Ban, D, Trigo-Mourino, P, Carneiro, M.G, Trent, J.O, Konrad, M, Lee, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and functional investigation of human guanylate kinase reveals allosteric networking and a crucial role for the enzyme in cancer. J.Biol.Chem., 294, 2019
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3U2Q
| EF-Tu (Escherichia coli) in complex with NVP-LFF571 | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Palestrant, D.J. | Deposit date: | 2011-10-04 | Release date: | 2012-05-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of LFF571: an investigational agent for Clostridium difficile infection. J.Med.Chem., 55, 2012
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8EZB
| NHEJ Long-range complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... | Authors: | Chen, S, He, Y. | Deposit date: | 2022-10-31 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ. Sci Adv, 9, 2023
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8EZA
| NHEJ Long-range complex with PAXX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... | Authors: | Chen, S, He, Y. | Deposit date: | 2022-10-31 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.39 Å) | Cite: | Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ. Sci Adv, 9, 2023
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8EZ9
| Dimeric complex of DNA-PKcs | Descriptor: | DNA-dependent protein kinase catalytic subunit, unknown region of DNA-PKcs | Authors: | Chen, S, He, Y. | Deposit date: | 2022-10-31 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (5.67 Å) | Cite: | Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ. Sci Adv, 9, 2023
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7LT3
| NHEJ Long-range synaptic complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... | Authors: | He, Y, Chen, S. | Deposit date: | 2021-02-18 | Release date: | 2021-04-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis of long-range to short-range synaptic transition in NHEJ. Nature, 593, 2021
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7LSY
| NHEJ Short-range synaptic complex | Descriptor: | DNA (26-MER), DNA (5'-D(P*CP*AP*AP*TP*GP*AP*AP*AP*CP*GP*GP*AP*AP*CP*AP*GP*TP*CP*AP*G)-3'), DNA (5'-D(P*GP*TP*TP*CP*TP*TP*AP*GP*TP*AP*TP*AP*TP*A)-3'), ... | Authors: | He, Y, Chen, S. | Deposit date: | 2021-02-18 | Release date: | 2021-04-14 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | Structural basis of long-range to short-range synaptic transition in NHEJ. Nature, 593, 2021
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5BVN
| Fragment-based discovery of potent and selective DDR1/2 inhibitors | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | Deposit date: | 2015-06-05 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5BVK
| Fragment-based discovery of potent and selective DDR1/2 inhibitors | Descriptor: | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea, Epithelial discoidin domain-containing receptor 1, IODIDE ION | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5BVO
| Fragment-based discovery of potent and selective DDR1/2 inhibitors | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5BVW
| Fragment-based discovery of potent and selective DDR1/2 inhibitors | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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3L16
| Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer | Descriptor: | 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2009-12-10 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3L17
| Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer | Descriptor: | 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2009-12-10 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3L13
| Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors | Descriptor: | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2009-12-10 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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4J6I
| Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform | Descriptor: | 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Rouge, L, Wu, P. | Deposit date: | 2013-02-11 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform. Bioorg.Med.Chem.Lett., 23, 2013
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3NZS
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6BDY
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6BM6
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