7W8T
 
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6A6K
 | | Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 | | Descriptor: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | | Authors: | Yoon, H, Kim, J, Chin, J, Cho, S.J, Song, J. | | Deposit date: | 2018-06-28 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Estrogen-Related Receptor-gamma Inverse Agonists To Restore the Sodium Iodide Symporter Function in Anaplastic Thyroid Cancer.
J. Med. Chem., 62, 2019
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5J5S
 | | Src kinase in complex with a sulfonamide inhibitor | | Descriptor: | N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M. | | Deposit date: | 2016-04-03 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.153 Å) | | Cite: | Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors
To Be Published
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4R8W
 | | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a neutralizing antibody CT149 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of neutralizing antibody CT149, Hemagglutinin, ... | | Authors: | Wu, Y, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2014-09-03 | | Release date: | 2015-08-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.795 Å) | | Cite: | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus
Nat Commun, 6, 2015
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5VMR
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5VID
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5VLI
 | | Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934) | | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bernard, S.M, Wilson, I.A. | | Deposit date: | 2017-04-25 | | Release date: | 2017-09-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
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4UBD
 | | Crystal structure of a neutralizing human monoclonal antibody with 1968 H3 HA | | 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 HA1 chain, ... | | Authors: | Shore, D.A, Yang, H, Cho, M, Donis, R.O, Stevens, J. | | Deposit date: | 2014-08-12 | | Release date: | 2015-06-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus.
Nat Commun, 6, 2015
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7FAH
 | | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
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6ZIS
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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6ZHO
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-23 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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3ZEE
 | | Electron cyro-microscopy helical reconstruction of Par-3 N terminal domain | | Descriptor: | PARTITIONING DEFECTIVE 3 HOMOLOG | | Authors: | Zhang, Y, Wang, W, Chen, J, Zhang, K, Gao, F, Gong, W, Zhang, M, Sun, F, Feng, W. | | Deposit date: | 2012-12-05 | | Release date: | 2013-10-16 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structural Insights Into the Intrinsic Self-Assembly of Par-3 N-Terminal Domain.
Structure, 21, 2013
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7YHK
 | | Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5 | | Descriptor: | 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zheng, Q, Li, S, Li, T, Xue, W, Sun, H. | | Deposit date: | 2022-07-13 | | Release date: | 2022-08-17 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
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6PYD
 | | Structure of 3E9 antibody Fab bound to marinobufagenin | | Descriptor: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, 3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, ... | | Authors: | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | | Deposit date: | 2019-07-29 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6CNV
 | | INFLUENZA B/BRISBANE HEMAGGLUTININ FAB CR9115 SD84H 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, CR9114 Fab heavy chain, ... | | Authors: | Luo, J, Obmolova, G. | | Deposit date: | 2018-03-09 | | Release date: | 2018-11-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
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6CK8
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1S6P
 | | CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943 | | Descriptor: | 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase] | | Authors: | Das, K, Arnold, E. | | Deposit date: | 2004-01-26 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
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4FQH
 | | Crystal Structure of Fab CR9114 | | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, antibody CR9114 heavy chain, ... | | Authors: | Dreyfus, C, Wilson, I.A. | | Deposit date: | 2012-06-25 | | Release date: | 2012-08-22 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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4FQK
 | | Influenza B/Brisbane/60/2008 hemagglutinin Fab CR8059 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, Antibody CR8059 Heavy Chain, ... | | Authors: | Dreyfus, C, Laursen, N.S, Wilson, I.A. | | Deposit date: | 2012-06-25 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (5.65 Å) | | Cite: | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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4FQJ
 | | Influenza B/Florida/4/2006 hemagglutinin Fab CR8071 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, antibody CR8071 heavy chain, ... | | Authors: | Dreyfus, C, Laursen, N.S, Wilson, I.A. | | Deposit date: | 2012-06-25 | | Release date: | 2012-08-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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4FQY
 | | Crystal structure of broadly neutralizing antibody CR9114 bound to H3 influenza hemagglutinin | | Descriptor: | Antibody CR9114 heavy chain, Antibody CR9114 light chain, Hemagglutinin HA1, ... | | Authors: | Ekiert, D.C, Dreyfus, C, Wilson, I.A. | | Deposit date: | 2012-06-25 | | Release date: | 2012-08-22 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (5.253 Å) | | Cite: | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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6CNW
 | | STRUCTURE OF HUMANIZED SINGLE DOMAIN ANTIBODY SD84 | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, humanized antibody SD84h | | Authors: | Luo, J, Obmolova, O. | | Deposit date: | 2018-03-09 | | Release date: | 2018-11-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
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4FQM
 | | Structure of B/Brisbane/60/2008 Influenza Hemagglutinin | | 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 HA1, ... | | Authors: | Dreyfus, C, Laursen, N.S, Wilson, I.A. | | Deposit date: | 2012-06-25 | | Release date: | 2012-08-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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4FQL
 | | Influenza B HA Antibody (Fab) CR8033 | | Descriptor: | monoclonal antibody CR8033 heavy chain, monoclonal antibody CR8033 light chain | | Authors: | Dreyfus, C, Laursen, N.S, Wilson, I.A. | | Deposit date: | 2012-06-25 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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4FQV
 | | Crystal structure of broadly neutralizing antibody CR9114 bound to H7 influenza hemagglutinin | | Descriptor: | Antibody CR9114 heavy chain, Antibody CR9114 light chain, Hemagglutinin HA1, ... | | Authors: | Ekiert, D.C, Dreyfus, C, Wilson, I.A. | | Deposit date: | 2012-06-25 | | Release date: | 2012-08-22 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (5.75 Å) | | Cite: | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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