5KRR
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![BU of 5krr by Molmil](/molmil-images/mine/5krr) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus in complex with Mn(2+) | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, CHLORIDE ION, ... | Authors: | Ussin, N, Abdulsalam, R.W, Offermann, L.R, Perdue, M, Chruszcz, M. | Deposit date: | 2016-07-07 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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3L8Q
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![BU of 3l8q by Molmil](/molmil-images/mine/3l8q) | Structure analysis of the type II cohesin dyad from the adaptor ScaA scaffoldin of Acetivibrio cellulolyticus | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, Cellulosomal scaffoldin adaptor protein B, ... | Authors: | Noach, I, Frolow, F, Bayer, E.A. | Deposit date: | 2010-01-03 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Modular Arrangement of a Cellulosomal Scaffoldin Subunit Revealed from the Crystal Structure of a Cohesin Dyad J.Mol.Biol., 399, 2010
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5OGB
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![BU of 5ogb by Molmil](/molmil-images/mine/5ogb) | Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC360. | Descriptor: | 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2 | Authors: | Chisholm, D, Tomlinson, C, Whiting, A, Pohl, E. | Deposit date: | 2017-07-12 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fluorescent Retinoic Acid Analogues as Probes for Biochemical and Intracellular Characterization of Retinoid Signaling Pathways. Acs Chem.Biol., 14, 2019
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3UO5
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![BU of 3uo5 by Molmil](/molmil-images/mine/3uo5) | Aurora A in complex with YL1-038-31 | Descriptor: | 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Serine/Threonine-Protein Kinase 6 | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7012 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UOD
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![BU of 3uod by Molmil](/molmil-images/mine/3uod) | Aurora A in complex with RPM1693 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A, ... | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5002 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UO6
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![BU of 3uo6 by Molmil](/molmil-images/mine/3uo6) | Aurora A in complex with YL5-083 | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8002 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UOJ
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![BU of 3uoj by Molmil](/molmil-images/mine/3uoj) | Aurora A in complex with RPM1715 | Descriptor: | 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9003 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UP2
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![BU of 3up2 by Molmil](/molmil-images/mine/3up2) | Aurora A in complex with RPM1686 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-17 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3001 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UNZ
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![BU of 3unz by Molmil](/molmil-images/mine/3unz) | Aurora A in Complex with RPM1679 | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UOH
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![BU of 3uoh by Molmil](/molmil-images/mine/3uoh) | Aurora A in complex with RPM1722 | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8002 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UOK
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![BU of 3uok by Molmil](/molmil-images/mine/3uok) | Aurora A in complex with YL5-81-1 | Descriptor: | 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9506 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UOL
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![BU of 3uol by Molmil](/molmil-images/mine/3uol) | Aurora A in complex with SO2-162 | Descriptor: | 1,2-ETHANEDIOL, Aurora kinase A, N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UO4
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![BU of 3uo4 by Molmil](/molmil-images/mine/3uo4) | Aurora A in complex with RPM1680 | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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6QDI
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![BU of 6qdi by Molmil](/molmil-images/mine/6qdi) | anti-sigma factor domain-containing protein from Clostridium clariflavum | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PA14 domain-containing protein | Authors: | Voronov, M, Bayer, E.A, Livnah, O. | Deposit date: | 2019-01-01 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum. Proteins, 87, 2019
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6QE7
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![BU of 6qe7 by Molmil](/molmil-images/mine/6qe7) | anti-sigma factor domain-containing protein | Descriptor: | Anti-sigma-I factor RsgI3, CALCIUM ION | Authors: | Voronov, M, Livnah, O, Bayer, E.A. | Deposit date: | 2019-01-07 | Release date: | 2019-06-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum. Proteins, 87, 2019
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5DFA
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![BU of 5dfa by Molmil](/molmil-images/mine/5dfa) | 3D structure of the E323A catalytic mutant of Gan42B, a GH42 beta-galactosidase from G. stearothermophilus | Descriptor: | Beta-galactosidase, GLYCEROL, ZINC ION | Authors: | Solomon, H.V, Tabachnikov, O, Lansky, S, Feinberg, H, Govada, L, Chayen, N.E, Shoham, Y, Shoham, G. | Deposit date: | 2015-08-26 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-function relationships in Gan42B, an intracellular GH42 beta-galactosidase from Geobacillus stearothermophilus. Acta Crystallogr.,Sect.D, 71, 2015
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5KQO
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![BU of 5kqo by Molmil](/molmil-images/mine/5kqo) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, PHOSPHATE ION | Authors: | Ussin, N, Offermann, L.R, Perdue, M, Chruszcz, M. | Deposit date: | 2016-07-06 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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5O7L
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![BU of 5o7l by Molmil](/molmil-images/mine/5o7l) | |
5O7S
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![BU of 5o7s by Molmil](/molmil-images/mine/5o7s) | Crystal structure of a single chain monellin mutant (Y65R) pH 8.3 | Descriptor: | DI(HYDROXYETHYL)ETHER, Monellin chain B,Monellin chain A, SULFATE ION | Authors: | Pica, A, Merlino, A. | Deposit date: | 2017-06-09 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | pH driven fibrillar aggregation of the super-sweet protein Y65R-MNEI: A step-by-step structural analysis. Biochim. Biophys. Acta, 1862, 2017
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5O7K
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![BU of 5o7k by Molmil](/molmil-images/mine/5o7k) | |
5O7R
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![BU of 5o7r by Molmil](/molmil-images/mine/5o7r) | |
5O7Q
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![BU of 5o7q by Molmil](/molmil-images/mine/5o7q) | Crystal structure of a single chain monellin mutant (Y65R) pH 5.5 | Descriptor: | DI(HYDROXYETHYL)ETHER, Monellin chain B,Monellin chain A, SULFATE ION | Authors: | Pica, A, Merlino, A. | Deposit date: | 2017-06-09 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | pH driven fibrillar aggregation of the super-sweet protein Y65R-MNEI: A step-by-step structural analysis. Biochim. Biophys. Acta, 1862, 2017
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8TV4
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![BU of 8tv4 by Molmil](/molmil-images/mine/8tv4) | NMR structure of temporin L in solution | Descriptor: | Temporin-1Tl peptide | Authors: | McShan, A.C, Jia, R, Halim, M.A. | Deposit date: | 2023-08-17 | Release date: | 2023-09-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Antiviral peptides inhibiting the main protease of SARS-CoV-2 investigated by computational screening and in vitro protease assay. J.Pept.Sci., 30, 2024
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8A2L
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8A5N
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![BU of 8a5n by Molmil](/molmil-images/mine/8a5n) | |