4RHR
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![BU of 4rhr by Molmil](/molmil-images/mine/4rhr) | Crystal structure of PltB | Descriptor: | ACETATE ION, Putative pertussis-like toxin subunit | Authors: | Gao, X, Wang, J, Galan, J. | Deposit date: | 2014-10-02 | Release date: | 2014-10-29 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | Host adaptation of a bacterial toxin from the human pathogen salmonella typhi. Cell(Cambridge,Mass.), 159, 2014
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5IHA
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![BU of 5iha by Molmil](/molmil-images/mine/5iha) | MELK in complex with NVS-MELK8F | Descriptor: | 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Brazell, T. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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4RHS
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![BU of 4rhs by Molmil](/molmil-images/mine/4rhs) | Crystal structure of GD2 bound PltB | Descriptor: | ACETATE ION, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Putative pertussis-like toxin subunit | Authors: | Gao, X, Wang, J, Galan, J. | Deposit date: | 2014-10-02 | Release date: | 2014-10-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9211 Å) | Cite: | Host adaptation of a bacterial toxin from the human pathogen salmonella typhi. Cell(Cambridge,Mass.), 159, 2014
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7V0E
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![BU of 7v0e by Molmil](/molmil-images/mine/7v0e) | |
5E5W
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![BU of 5e5w by Molmil](/molmil-images/mine/5e5w) | Hemagglutinin-esterase-fusion mutant structure of influenza D virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | Authors: | Song, H, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-10-09 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism PLoS Pathog., 12, 2016
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5E66
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![BU of 5e66 by Molmil](/molmil-images/mine/5e66) | The complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-N-Ac-Sia | Descriptor: | (6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Song, H, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-10-09 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism PLoS Pathog., 12, 2016
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4TTP
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![BU of 4ttp by Molmil](/molmil-images/mine/4ttp) | |
3V7T
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![BU of 3v7t by Molmil](/molmil-images/mine/3v7t) | |
4JAI
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![BU of 4jai by Molmil](/molmil-images/mine/4jai) | Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Descriptor: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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5DRZ
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![BU of 5drz by Molmil](/molmil-images/mine/5drz) | Crystal structure of anti-HIV-1 antibody F240 Fab in complex with gp41 peptide | Descriptor: | Envelope glycoprotein gp160, HIV Antibody F240 Heavy Chain, HIV Antibody F240 Light Chain, ... | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2015-09-16 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Molecular basis for epitope recognition by non-neutralizing anti-gp41 antibody F240. Sci Rep, 6, 2016
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5E62
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![BU of 5e62 by Molmil](/molmil-images/mine/5e62) | HEF-mut with Tr323 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ... | Authors: | Song, H, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-10-09 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism PLoS Pathog., 12, 2016
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4A6L
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![BU of 4a6l by Molmil](/molmil-images/mine/4a6l) | beta-tryptase inhibitor | Descriptor: | 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine, TRYPTASE ALPHA/BETA-1 | Authors: | Mathieu, M, Maignan, S. | Deposit date: | 2011-11-04 | Release date: | 2012-01-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Library Design and the Discovery of a Potent and Selective Mast Cell Beta-Tryptase Inhibitor as an Oral Therapeutic Agent. Bioorg.Med.Chem.Lett., 22, 2012
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4JAJ
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![BU of 4jaj by Molmil](/molmil-images/mine/4jaj) | Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE | Descriptor: | Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3WB9
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![BU of 3wb9 by Molmil](/molmil-images/mine/3wb9) | Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum | Descriptor: | Diaminopimelate dehydrogenase, GLYCEROL | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2013-05-14 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
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3WBF
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![BU of 3wbf by Molmil](/molmil-images/mine/3wbf) | Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP | Descriptor: | 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ... | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2013-05-15 | Release date: | 2014-03-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
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3WBB
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![BU of 3wbb by Molmil](/molmil-images/mine/3wbb) | Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum | Descriptor: | Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2013-05-14 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
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5DP6
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![BU of 5dp6 by Molmil](/molmil-images/mine/5dp6) | Crystal Structure of EV71 3C Proteinase in complex with compound 7 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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4OM0
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![BU of 4om0 by Molmil](/molmil-images/mine/4om0) | |
4OLW
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![BU of 4olw by Molmil](/molmil-images/mine/4olw) | |
4OLX
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![BU of 4olx by Molmil](/molmil-images/mine/4olx) | |
2IHZ
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![BU of 2ihz by Molmil](/molmil-images/mine/2ihz) | |
2II6
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![BU of 2ii6 by Molmil](/molmil-images/mine/2ii6) | |
4HQQ
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![BU of 4hqq by Molmil](/molmil-images/mine/4hqq) | Crystal structure of RV144-elicited antibody CH58 | Descriptor: | CH58 Fab heavy chain, CH58 Fab light chain | Authors: | McLellan, J.S, Haynes, B.F, Kwong, P.D. | Deposit date: | 2012-10-25 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2. Immunity, 38, 2013
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2ILV
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![BU of 2ilv by Molmil](/molmil-images/mine/2ilv) | |
2IIB
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![BU of 2iib by Molmil](/molmil-images/mine/2iib) | |