7B3A
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![BU of 7b3a by Molmil](/molmil-images/mine/7b3a) | Crystal structure of PamZ | Descriptor: | ACETATE ION, ACETYL COENZYME *A, CHLORIDE ION, ... | Authors: | Loll, B, Dang, T, Mainz, A, Suessmuth, R, Wahl, M.C. | Deposit date: | 2020-11-30 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Molecular basis of antibiotic self-resistance in a bee larvae pathogen. Nat Commun, 13, 2022
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6HPV
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![BU of 6hpv by Molmil](/molmil-images/mine/6hpv) | Crystal structure of mouse fetuin-B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B | Authors: | Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L. | Deposit date: | 2018-09-22 | Release date: | 2019-02-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition. Iucrj, 6, 2019
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7A78
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![BU of 7a78 by Molmil](/molmil-images/mine/7a78) | Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-08-27 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
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7A77
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![BU of 7a77 by Molmil](/molmil-images/mine/7a77) | Crystal structure of RXR alpha LBD in complexes with palmitic acid and GRIP-1 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-08-27 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
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7A79
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![BU of 7a79 by Molmil](/molmil-images/mine/7a79) | Crystal structure of RXR gamma LBD in complexes with palmitic acid and GRIP-1 peptide | Descriptor: | Nuclear receptor coactivator 2, PALMITIC ACID, Retinoic acid receptor RXR-gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-08-27 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
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2XX3
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![BU of 2xx3 by Molmil](/molmil-images/mine/2xx3) | |
5WJB
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![BU of 5wjb by Molmil](/molmil-images/mine/5wjb) | Crystal Structure of Amino Acids 1733-1797 of Human Beta Cardiac Myosin Fused to Gp7 | Descriptor: | Capsid assembly scaffolding protein,Myosin-7 | Authors: | Andreas, M.P, Ajay, G, Gellings, J, Rayment, I. | Deposit date: | 2017-07-21 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.905 Å) | Cite: | Design considerations in coiled-coil fusion constructs for the structural determination of a problematic region of the human cardiac myosin rod. J. Struct. Biol., 200, 2017
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5WLQ
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![BU of 5wlq by Molmil](/molmil-images/mine/5wlq) | Crystal Structure of Amino Acids 1677-1755 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1 | Descriptor: | Capsid assembly scaffolding protein,Myosin-7,Microtubule-associated protein RP/EB family member 1, SULFATE ION, trimethylamine oxide | Authors: | Andreas, M.P, Ajay, G, Gellings, J, Rayment, I. | Deposit date: | 2017-07-27 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.104 Å) | Cite: | Design considerations in coiled-coil fusion constructs for the structural determination of a problematic region of the human cardiac myosin rod. J. Struct. Biol., 200, 2017
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5WME
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![BU of 5wme by Molmil](/molmil-images/mine/5wme) | Crystal Structure of Amino Acids 1729-1786 of Human Beta Cardiac Myosin Fused to Gp7 as Anti-Parallel Four-Helix Bundle | Descriptor: | Capsid assembly scaffolding protein,Myosin-7 | Authors: | Andreas, M.P, Ajay, G, Gellings, J, Rayment, I. | Deposit date: | 2017-07-28 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design considerations in coiled-coil fusion constructs for the structural determination of a problematic region of the human cardiac myosin rod. J. Struct. Biol., 200, 2017
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5IQ7
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![BU of 5iq7 by Molmil](/molmil-images/mine/5iq7) | Crystal structure of 10E8-S74W Fab in complex with an HIV-1 gp41 peptide. | Descriptor: | 10E8-S74W Heavy Chain, 10E8-S74W Light Chain, gp41 MPER peptide | Authors: | Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. | Deposit date: | 2016-03-10 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2869 Å) | Cite: | Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design. J.Virol., 90, 2016
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8XJJ
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![BU of 8xjj by Molmil](/molmil-images/mine/8xjj) | Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 | Descriptor: | 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1 | Authors: | Ren, X. | Deposit date: | 2023-12-21 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers. Mol.Cancer Ther., 2024
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7ORZ
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![BU of 7orz by Molmil](/molmil-images/mine/7orz) | Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18) | Descriptor: | 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C. | Deposit date: | 2021-06-06 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients. J.Med.Chem., 65, 2022
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7OR2
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![BU of 7or2 by Molmil](/molmil-images/mine/7or2) | Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4) | Descriptor: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase | Authors: | Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C. | Deposit date: | 2021-06-04 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients. J.Med.Chem., 65, 2022
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5IQ9
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![BU of 5iq9 by Molmil](/molmil-images/mine/5iq9) | Crystal structure of 10E8v4 Fab in complex with an HIV-1 gp41 peptide. | Descriptor: | 10E8v4 Heavy Chain, 10E8v4 Light Chain, gp41 MPER peptide | Authors: | Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. | Deposit date: | 2016-03-10 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design. J.Virol., 90, 2016
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5K57
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![BU of 5k57 by Molmil](/molmil-images/mine/5k57) | HDD domain from human Ddi2 | Descriptor: | Protein DDI1 homolog 2 | Authors: | Veverka, V. | Deposit date: | 2016-05-23 | Release date: | 2016-08-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Human DNA-Damage-Inducible 2 Protein Is Structurally and Functionally Distinct from Its Yeast Ortholog. Sci Rep, 6, 2016
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5NWE
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![BU of 5nwe by Molmil](/molmil-images/mine/5nwe) | Complex of H275Y mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic 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: | Pachl, P, Pokorna, J. | Deposit date: | 2017-05-05 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZ4
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![BU of 5nz4 by Molmil](/molmil-images/mine/5nz4) | Complex of I223V mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J, Karlukova, E. | Deposit date: | 2017-05-12 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZF
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![BU of 5nzf by Molmil](/molmil-images/mine/5nzf) | Complex of H275Y/I223V mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J. | Deposit date: | 2017-05-14 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZN
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![BU of 5nzn by Molmil](/molmil-images/mine/5nzn) | Complex of H275Y/S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J. | Deposit date: | 2017-05-14 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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4YY5
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![BU of 4yy5 by Molmil](/molmil-images/mine/4yy5) | |
5NZE
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![BU of 5nze by Molmil](/molmil-images/mine/5nze) | Complex of S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J, Hejdanek, J. | Deposit date: | 2017-05-13 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5WJ7
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![BU of 5wj7 by Molmil](/molmil-images/mine/5wj7) | Crystal Structure of Amino Acids 1733-1797 of Human Beta Cardiac Myosin Fused to Xrcc4 | Descriptor: | DNA repair protein XRCC4,Myosin-7 | Authors: | Andreas, M.P, Ajay, G, Gellings, J, Rayment, I. | Deposit date: | 2017-07-21 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design considerations in coiled-coil fusion constructs for the structural determination of a problematic region of the human cardiac myosin rod. J. Struct. Biol., 200, 2017
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5JUI
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![BU of 5jui by Molmil](/molmil-images/mine/5jui) | |
4YY2
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![BU of 4yy2 by Molmil](/molmil-images/mine/4yy2) | |
6RMK
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![BU of 6rmk by Molmil](/molmil-images/mine/6rmk) | Bacteriorhodopsin, dark state, cell 2, refined using the same protocol as sub-ps time delays | Descriptor: | Bacteriorhodopsin, RETINAL | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | Deposit date: | 2019-05-07 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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