8UGY
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![BU of 8ugy by Molmil](/molmil-images/mine/8ugy) | Serotonin 1E receptor (5-HT1eR)-Gi1 Complex bound with Mianserin | Descriptor: | 5-hydroxytryptamine receptor 1E, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zilberg, G, Warren, A.L, Wacker, D. | Deposit date: | 2023-10-06 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HT 1e R and 5-HT 1F R. Sci Adv, 10, 2024
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8FY8
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![BU of 8fy8 by Molmil](/molmil-images/mine/8fy8) | 5-MeO-DMT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | Deposit date: | 2023-01-25 | Release date: | 2024-05-15 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structural pharmacology and therapeutic potential of 5-methoxytryptamines. Nature, 630, 2024
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4JCA
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![BU of 4jca by Molmil](/molmil-images/mine/4jca) | Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | CITRIC ACID, RUBIDIUM ION, serine hydrolase | Authors: | Kuzin, A.P, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-21 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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8RH0
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![BU of 8rh0 by Molmil](/molmil-images/mine/8rh0) | Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules. | Descriptor: | Envelope glycoprotein B, HDIT102 Fab heavy chain | Authors: | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | Deposit date: | 2023-12-14 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus. J.Biomed.Sci., 31, 2024
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8RH1
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![BU of 8rh1 by Molmil](/molmil-images/mine/8rh1) | Trimeric HSV-2F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules. | Descriptor: | Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain | Authors: | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | Deposit date: | 2023-12-14 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus. J.Biomed.Sci., 31, 2024
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1QYS
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![BU of 1qys by Molmil](/molmil-images/mine/1qys) | Crystal structure of Top7: A computationally designed protein with a novel fold | Descriptor: | TOP7 | Authors: | Kuhlman, B, Dantas, G, Ireton, G.C, Varani, G, Stoddard, B.L, Baker, D. | Deposit date: | 2003-09-11 | Release date: | 2003-11-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of a Novel Globular Protein Fold with Atomic-Level Accuracy Science, 302, 2003
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1PVH
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![BU of 1pvh by Molmil](/molmil-images/mine/1pvh) | Crystal structure of leukemia inhibitory factor in complex with gp130 | Descriptor: | IODIDE ION, Interleukin-6 receptor beta chain, Leukemia inhibitory factor | Authors: | Boulanger, M.J, Bankovich, A.J, Kortemme, T, Baker, D, Garcia, K.C. | Deposit date: | 2003-06-27 | Release date: | 2003-10-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Convergent mechanisms for recognition of divergent cytokines by the shared signaling receptor gp130. Mol.Cell, 12, 2003
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2KS6
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![BU of 2ks6 by Molmil](/molmil-images/mine/2ks6) | |
4CF7
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![BU of 4cf7 by Molmil](/molmil-images/mine/4cf7) | Crystal structure of adenylate kinase from Aquifex aeolicus with MgADP bound | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINASE, ... | Authors: | Kerns, S.J, Agafonov, R.V, Cho, Y.-J, Pontiggia, F, Otten, R, Pachov, D.V, Kutter, S, Phung, L.A, Murphy, P.N, Thai, V, Hagan, M.F, Kern, D. | Deposit date: | 2013-11-13 | Release date: | 2014-12-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | The Energy Landscape of Adenylate Kinase During Catalysis. Nat.Struct.Mol.Biol., 22, 2015
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4HB7
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![BU of 4hb7 by Molmil](/molmil-images/mine/4hb7) | The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50. | Descriptor: | 1,2-ETHANEDIOL, Dihydropteroate synthase | Authors: | Cuff, M.E, Holowicki, J, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2012-09-27 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50. TO BE PUBLISHED
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5TUD
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![BU of 5tud by Molmil](/molmil-images/mine/5tud) | Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody | Descriptor: | 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ... | Authors: | Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V. | Deposit date: | 2016-11-05 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2LVB
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![BU of 2lvb by Molmil](/molmil-images/mine/2lvb) | Solution NMR Structure DE NOVO DESIGNED PFK fold PROTEIN, Northeast Structural Genomics Consortium (NESG) Target OR250 | Descriptor: | DE NOVO DESIGNED PFK fold PROTEIN | Authors: | Liu, G, Koga, N, Koga, R, Xiao, R, Hamilton, K, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-30 | Release date: | 2012-08-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Principles for designing ideal protein structures. Nature, 491, 2012
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5K0K
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![BU of 5k0k by Molmil](/molmil-images/mine/5k0k) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434 | Descriptor: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V. | Deposit date: | 2016-05-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors. ACS Med Chem Lett, 7, 2016
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5K0X
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![BU of 5k0x by Molmil](/molmil-images/mine/5k0x) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541 | Descriptor: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X. | Deposit date: | 2016-05-17 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors. ChemMedChem, 12, 2017
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2LV8
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![BU of 2lv8 by Molmil](/molmil-images/mine/2lv8) | Solution NMR Structure de novo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium (NESG) Target OR16 | Descriptor: | De novo designed rossmann 2x2 fold protein | Authors: | Liu, G, Koga, R, Koga, N, Xiao, R, Pederson, K, Hamilton, K, Ciccosanti, C, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-29 | Release date: | 2012-08-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Principles for designing ideal protein structures. Nature, 491, 2012
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1ATI
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![BU of 1ati by Molmil](/molmil-images/mine/1ati) | CRYSTAL STRUCTURE OF GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS | Descriptor: | GLYCYL-TRNA SYNTHETASE, GLYCYL-tRNA SYNTHETASE | Authors: | Logan, D.T, Mazauric, M.-H, Kern, D, Moras, D. | Deposit date: | 1996-04-23 | Release date: | 1997-07-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of glycyl-tRNA synthetase from Thermus thermophilus. EMBO J., 14, 1995
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2MBL
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![BU of 2mbl by Molmil](/molmil-images/mine/2mbl) | Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33 | Descriptor: | Top7 Fold Protein Top7m13 | Authors: | Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-08-02 | Release date: | 2013-11-13 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33 To be Published
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4ILS
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![BU of 4ils by Molmil](/molmil-images/mine/4ils) | Crystal structure of engineered protein. northeast structural genomics Consortium target or117 | Descriptor: | Engineered protein | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-12-31 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of engineered protein. northeast structural genomics Consortium target or117 To be Published
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5GAJ
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![BU of 5gaj by Molmil](/molmil-images/mine/5gaj) | Solution NMR structure of De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258 | Descriptor: | DE NOVO DESIGNED PROTEIN OR258 | Authors: | Liu, G, Castelllanos, J, Koga, R, Koga, N, Xiao, R, Pederson, K, Janjua, H, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-12-01 | Release date: | 2016-01-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258 To Be Published
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4IX0
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![BU of 4ix0 by Molmil](/molmil-images/mine/4ix0) | Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy | Descriptor: | NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein | Authors: | Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D. | Deposit date: | 2013-01-24 | Release date: | 2013-08-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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2MR5
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![BU of 2mr5 by Molmil](/molmil-images/mine/2mr5) | Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457 | Descriptor: | De novo designed Protein OR457 | Authors: | Pulavarti, S, Nivon, L, Maglaqui, M, Janjua, H, Mao, L, Xiao, R, Kornhaber, G, Baker, D, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-07-01 | Release date: | 2014-09-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457 To be Published
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2N2T
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![BU of 2n2t by Molmil](/molmil-images/mine/2n2t) | Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303 | Descriptor: | OR303 | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Hamilton, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-05-14 | Release date: | 2015-09-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303 To be Published
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2N3Z
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![BU of 2n3z by Molmil](/molmil-images/mine/2n3z) | Solution NMR Structure of de novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446 | Descriptor: | OR446 | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-06-15 | Release date: | 2015-09-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of DE NOVO DESIGNED PROTEIN, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446 To be Published
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2MQ8
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![BU of 2mq8 by Molmil](/molmil-images/mine/2mq8) | Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414 | Descriptor: | De novo designed protein LFR1 | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-06-12 | Release date: | 2014-08-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Control over overall shape and size in de novo designed proteins. Proc.Natl.Acad.Sci.USA, 112, 2015
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2N2U
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![BU of 2n2u by Molmil](/molmil-images/mine/2n2u) | Solution NMR Structure of DE NOVO DESIGNED Ferredoxin Fold PROTEIN sfr3, Northeast Structural Genomics Consortium (NESG) Target OR358 | Descriptor: | OR358 | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Hamilton, K, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-05-14 | Release date: | 2015-09-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of DE NOVO DESIGNED Ferredoxin Fold PROTEIN sfr3, Northeast Structural Genomics Consortium (NESG) Target OR358 To be Published
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