1O1Y
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1O3U
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1O22
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1O4V
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1O5U
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4GX9
| Crystal structure of a DNA polymerase III alpha-epsilon chimera | Descriptor: | DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha | Authors: | Li, N, Horan, N, Xu, Z.-Q, Jacques, D, Dixon, N.E, Oakley, A.J. | Deposit date: | 2012-09-04 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain Nucleic Acids Res., 41, 2013
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3N3K
| The catalytic domain of USP8 in complex with a USP8 specific inhibitor | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-20 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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3IW6
| Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol | Descriptor: | Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3IW5
| Human p38 MAP Kinase in Complex with an Indole Derivative | Descriptor: | Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3IW8
| Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | Descriptor: | 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3IW7
| Human p38 MAP Kinase in Complex with an Imidazo-pyridine | Descriptor: | 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3MTN
| Usp21 in complex with a ubiquitin-based, USP21-specific inhibitor | Descriptor: | CHLORIDE ION, GLYCEROL, UBIQUITIN VARIANT UBV.21.4, ... | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-30 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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4CT2
| Human PDK1-PKCzeta Kinase Chimera | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DITHIANE DIOL, ... | Authors: | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | Deposit date: | 2014-03-11 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound. Chem.Biol., 21, 2014
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4CT1
| Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket | Descriptor: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | Deposit date: | 2014-03-11 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound. Chem.Biol., 21, 2014
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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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5T1W
| Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, CHLORIDE ION, ... | Authors: | Parris, K.D, Vajdos, F. | Deposit date: | 2016-08-22 | Release date: | 2017-01-11 | Last modified: | 2017-01-25 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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5T1U
| Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Parris, K.D, Vajdos, F. | Deposit date: | 2016-08-22 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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5TFU
| Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | Descriptor: | (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2016-09-26 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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3U45
| Human Carbonic Anhydrase II V143A | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | West, D, Mckenna, R. | Deposit date: | 2011-10-07 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Structural Modification of the hydrophobic pocket in Human Carbonic Anhydrase II To be Published
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5TFT
| Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2016-09-26 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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3SN7
| Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | Descriptor: | 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Parris, K.D. | Deposit date: | 2011-06-28 | Release date: | 2011-10-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors. J.Med.Chem., 54, 2011
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3U47
| Human Carbonic Anhydrase II V143L | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | West, D, Mckenna, R. | Deposit date: | 2011-10-07 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural modification of the hydrophobic pocket of Human Carbonic Anhydrase II To be Published
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3U3A
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3BGL
| Hepatoselectivity of Statins: Design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors | Descriptor: | (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Finzel, B.C, Pavlovsky, A, Park, W.K.C. | Deposit date: | 2007-11-26 | Release date: | 2008-01-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.225 Å) | Cite: | Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3OOZ
| Bace1 in complex with the aminohydantoin Compound 102 | Descriptor: | (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M. | Deposit date: | 2010-08-31 | Release date: | 2011-08-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability Bioorg.Med.Chem.Lett., 20, 2010
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