7NEH
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![BU of 7neh by Molmil](/molmil-images/mine/7neh) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-02-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera. Cell, 184, 2021
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4LPH
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![BU of 4lph by Molmil](/molmil-images/mine/4lph) | Crystal structure of human FPPS in complex with CL03093 | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2013-07-16 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases. J.Med.Chem., 57, 2014
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4LPG
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![BU of 4lpg by Molmil](/molmil-images/mine/4lpg) | Crystal structure of human FPPS in complex with CL01131 | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2013-07-16 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases. J.Med.Chem., 57, 2014
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6DKB
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![BU of 6dkb by Molmil](/molmil-images/mine/6dkb) | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10b. | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide, High affinity nerve growth factor receptor | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | Deposit date: | 2018-05-29 | Release date: | 2018-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. J. Med. Chem., 61, 2018
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6DKI
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![BU of 6dki by Molmil](/molmil-images/mine/6dki) | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19. | Descriptor: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide, High affinity nerve growth factor receptor | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | Deposit date: | 2018-05-29 | Release date: | 2018-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. J. Med. Chem., 61, 2018
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6DKG
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![BU of 6dkg by Molmil](/molmil-images/mine/6dkg) | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 13b. | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, High affinity nerve growth factor receptor | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | Deposit date: | 2018-05-29 | Release date: | 2018-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. J. Med. Chem., 61, 2018
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6DKW
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6DUM
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![BU of 6dum by Molmil](/molmil-images/mine/6dum) | ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2018-06-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy. J.Med.Chem., 61, 2018
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7U2A
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![BU of 7u2a by Molmil](/molmil-images/mine/7u2a) | Cryo-electron microscopy structure of human mt-SerRS in complex with mt-tRNA (GCU) | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, RNA (38-MER), Serine--tRNA ligase, ... | Authors: | Hirschi, M, Kuhle, B, Doerfel, L, Schimmel, P, Lander, G. | Deposit date: | 2022-02-23 | Release date: | 2022-09-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA. Nat Commun, 13, 2022
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3ZZR
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![BU of 3zzr by Molmil](/molmil-images/mine/3zzr) | Crystal structure of the CG11501 protein in P21212 spacegroup | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Coste, F, Roussel, A. | Deposit date: | 2011-09-02 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Diedel, a Marker of the Immune Response of Drosophila Melanogaster. Plos One, 7, 2012
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4AE0
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![BU of 4ae0 by Molmil](/molmil-images/mine/4ae0) | |
4AE1
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![BU of 4ae1 by Molmil](/molmil-images/mine/4ae1) | |
7TZB
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![BU of 7tzb by Molmil](/molmil-images/mine/7tzb) | Crystal structure of the human mitochondrial seryl-tRNA synthetase (mt SerRS) bound with a seryl-adenylate analogue | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, Serine--tRNA ligase, mitochondrial | Authors: | Kuhle, B, Hirschi, M, Doerfel, L, Lander, G, Schimmel, P. | Deposit date: | 2022-02-15 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA. Nat Commun, 13, 2022
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7U2B
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![BU of 7u2b by Molmil](/molmil-images/mine/7u2b) | Cryo-electron microscopy structure of human mt-SerRS in complex with mt-tRNA(GCU-TL) | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, RNA (53-MER), Serine--tRNA ligase, ... | Authors: | Hirschi, M, Kuhle, B, Doerfel, L, Schimmel, P, Lander, G. | Deposit date: | 2022-02-23 | Release date: | 2022-09-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA. Nat Commun, 13, 2022
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3ZZO
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![BU of 3zzo by Molmil](/molmil-images/mine/3zzo) | |
4U9R
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![BU of 4u9r by Molmil](/molmil-images/mine/4u9r) | Structure of the N-terminal Extension from Cupriavidus metallidurans CzcP | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, CADMIUM ION, CzcP cation efflux P1-ATPase | Authors: | Smith, A.T, Rosenzweig, A.C. | Deposit date: | 2014-08-06 | Release date: | 2015-07-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A new metal binding domain involved in cadmium, cobalt and zinc transport. Nat.Chem.Biol., 11, 2015
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4U86
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![BU of 4u86 by Molmil](/molmil-images/mine/4u86) | Human Pin1 with cysteine sulfonic acid 113 | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Li, W, Zhang, Y. | Deposit date: | 2014-08-01 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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4U85
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![BU of 4u85 by Molmil](/molmil-images/mine/4u85) | Human Pin1 with cysteine sulfinic acid 113 | Descriptor: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Li, W, Zhang, Y. | Deposit date: | 2014-08-01 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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4U84
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![BU of 4u84 by Molmil](/molmil-images/mine/4u84) | Human Pin1 with S-hydroxyl-cysteine 113 | Descriptor: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Li, W, Zhang, Y. | Deposit date: | 2014-08-01 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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4DZM
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![BU of 4dzm by Molmil](/molmil-images/mine/4dzm) | A de novo designed Coiled Coil CC-Di | Descriptor: | COILED-COIL PEPTIDE CC-DI | Authors: | Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N. | Deposit date: | 2012-03-01 | Release date: | 2012-08-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology. ACS Synth Biol, 1, 2012
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4DZN
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![BU of 4dzn by Molmil](/molmil-images/mine/4dzn) | A de novo designed Coiled Coil CC-pIL | Descriptor: | COILED-COIL PEPTIDE CC-PIL | Authors: | Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N. | Deposit date: | 2012-03-01 | Release date: | 2012-08-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology. ACS Synth Biol, 1, 2012
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4DOM
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![BU of 4dom by Molmil](/molmil-images/mine/4dom) | |
4DZL
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![BU of 4dzl by Molmil](/molmil-images/mine/4dzl) | A de novo designed Coiled Coil CC-Tri | Descriptor: | COILED-COIL PEPTIDE CC-TRI | Authors: | Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N. | Deposit date: | 2012-03-01 | Release date: | 2012-08-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology. ACS Synth Biol, 1, 2012
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4DZK
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![BU of 4dzk by Molmil](/molmil-images/mine/4dzk) | A de novo designed Coiled Coil CC-Tri-N13 | Descriptor: | CHLORIDE ION, COILED-COIL PEPTIDE CC-TRI-N13 | Authors: | Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N. | Deposit date: | 2012-03-01 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology. ACS Synth Biol, 1, 2012
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4EO7
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![BU of 4eo7 by Molmil](/molmil-images/mine/4eo7) | Crystal structure of the TIR domain of human myeloid differentiation primary response protein 88. | Descriptor: | MAGNESIUM ION, Myeloid differentiation primary response protein MyD88 | Authors: | Snyder, G.A, Cirl, C, Jiang, J.S, Chen, P, Smith, T, Xiao, T.S. | Deposit date: | 2012-04-13 | Release date: | 2013-04-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Molecular mechanisms for the subversion of MyD88 signaling by TcpC from virulent uropathogenic Escherichia coli. Proc.Natl.Acad.Sci.USA, 110, 2013
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