7M7W
 
 | | Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ... | | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | Deposit date: | 2021-03-29 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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7R6X
 | | SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ... | | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | Deposit date: | 2021-06-23 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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7R6W
 | | SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | Deposit date: | 2021-06-23 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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7RNJ
 | | S2P6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide | | Descriptor: | Monoclonal antibody S2P6 Fab heavy chain, Monoclonal antibody S2P6 Fab light chain, SULFATE ION, ... | | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M, Sauer, M.M, Veesler, D. | | Deposit date: | 2021-07-29 | | Release date: | 2021-08-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Broad betacoronavirus neutralization by a stem helix-specific human antibody.
Science, 373, 2021
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7JX3
 | | Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab domain of monoclonal antibody S2H14, Heavy chain of Fab domain of monoclonal antibody S304, ... | | Authors: | Snell, G, Czudnochowski, N, Rosen, L.E, Nix, J.C, Corti, D, Veesler, D, Park, Y.J, Walls, A.C, Tortorici, M.A, Cameroni, E, Pinto, D, Beltramello, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-08-26 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
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7L0N
 | | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D. | | Deposit date: | 2020-12-11 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
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7K3Q
 | | An ultra-potent human neutralizing antibody locks the SARS-CoV-2 spike in the closed conformation | | Descriptor: | 1,2-ETHANEDIOL, Fab fragment of S2E12 monoclonal antibody, heavy chain, ... | | Authors: | Snell, G, Czudnochowski, N, Ng, C. | | Deposit date: | 2020-09-12 | | Release date: | 2020-10-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
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5X9O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1a | | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ... | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-03-08 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X4N
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-N4-phenylpyrimidine-2,4-diamine, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | Descriptor: | B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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4PHU
 | | Crystal structure of Human GPR40 bound to allosteric agonist TAK-875 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIMETHYL SULFOXIDE, Free fatty acid receptor 1,Lysozyme, ... | | Authors: | Srivastava, A, Yano, J.K, Hirozane, Y, Kefala, G, Snell, G, Lane, W, Gruswitz, F, Ivetac, A, Aertgeerts, K, Nguyen, J, Jennings, A, Okada, K. | | Deposit date: | 2014-05-07 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.332 Å) | | Cite: | High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875.
Nature, 513, 2014
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6WPT
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment (open state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, ... | | Authors: | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-04-27 | | Release date: | 2020-05-27 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
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6WPS
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, ... | | Authors: | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-04-27 | | Release date: | 2020-05-27 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
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6WS6
 | | Structural and functional analysis of a potent sarbecovirus neutralizing antibody | | Descriptor: | O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), S309 antigen-binding (Fab) fragment, heavy chain, ... | | Authors: | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, Marco, A.D, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Telenti, A, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-04-30 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
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4ZYO
 | | Crystal Structure of Human Integral Membrane Stearoyl-CoA Desaturase with Substrate | | Descriptor: | Acyl-CoA desaturase, DODECYL-BETA-D-MALTOSIDE, STEAROYL-COENZYME A, ... | | Authors: | Wang, H, Klein, M.G, Lane, W, Snell, G, Levin, I, Li, K, Zou, H, Sang, B.-C. | | Deposit date: | 2015-05-21 | | Release date: | 2015-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structure of human stearoyl-coenzyme A desaturase in complex with substrate.
Nat.Struct.Mol.Biol., 22, 2015
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5B25
 | | Crystal structure of human PDE1B with inhibitor 3 | | Descriptor: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | | Authors: | Ida, K, Lane, W, Snell, G, Sogabe, S. | | Deposit date: | 2016-01-07 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases
J.Med.Chem., 59, 2016
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7TN0
 | | SARS-CoV-2 Omicron RBD in complex with human ACE2 and S304 Fab and S309 Fab | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | McCallum, M, Czudnochowski, N, Nix, J.C, Croll, T.I, SSGCID, Dillen, J.R, Snell, G, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
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8DF5
 | | SARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D. | | Deposit date: | 2022-06-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Shifting mutational constraints in the SARS-CoV-2 receptor-binding domain during viral evolution.
Science, 377, 2022
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6B33
 | | Structure of RORgt in complex with a novel inverse agonist 3 | | Descriptor: | (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide, Nuclear receptor ROR-gamma | | Authors: | Skene, R.J, Hoffman, I, Snell, G. | | Deposit date: | 2017-09-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Design and Synthesis of Conformationally Constrained ROR gamma t Inverse Agonists.
Chemmedchem, 2019
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1Q35
 | | Crystal Structure of Pasteurella haemolytica Apo Ferric ion-Binding Protein A | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, iron binding protein FbpA | | Authors: | Shouldice, S.R, Dougan, D.R, Skene, R.J, Snell, G, Scheibe, D, Williams, P.A, Kirby, S, McRee, D.E, Schryvers, A.B, Tari, L.W. | | Deposit date: | 2003-07-28 | | Release date: | 2003-11-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of Pasteurella haemolytica ferric ion-binding protein A reveals a novel class of bacterial iron-binding proteins
J.Biol.Chem., 278, 2003
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5X4M
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1 | | Descriptor: | B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4Q
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 7 | | Descriptor: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, ... | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X9P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | Descriptor: | 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-03-08 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X4P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 6 | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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1T69
 | | Crystal Structure of human HDAC8 complexed with SAHA | | Descriptor: | Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC ION | | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | | Deposit date: | 2004-05-05 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
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