6ZF7
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![BU of 6zf7 by Molmil](/molmil-images/mine/6zf7) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF0
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![BU of 6zf0 by Molmil](/molmil-images/mine/6zf0) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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5BPN
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![BU of 5bpn by Molmil](/molmil-images/mine/5bpn) | |
5BN9
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![BU of 5bn9 by Molmil](/molmil-images/mine/5bn9) | |
5BX7
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![BU of 5bx7 by Molmil](/molmil-images/mine/5bx7) | PKA in complex with a benzothiophene fragment compound. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ... | Authors: | Narayanan, D, Alam, K.A, Engh, R.A. | Deposit date: | 2015-06-08 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | PKA based studies of ligand interactions with a methionine gatekeeper. To Be Published
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5BX6
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![BU of 5bx6 by Molmil](/molmil-images/mine/5bx6) | |
5BN8
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![BU of 5bn8 by Molmil](/molmil-images/mine/5bn8) | |
5UG0
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![BU of 5ug0 by Molmil](/molmil-images/mine/5ug0) | Human antibody H2897 in complex with influenza hemagglutinin H1 Solomon Islands/03/2006 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2897 heavy chain, ... | Authors: | Raymond, D.D, Caradonna, T, Schmidt, A.G, Harrison, S.C. | Deposit date: | 2017-01-06 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface. J. Mol. Biol., 429, 2017
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5W1M
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![BU of 5w1m by Molmil](/molmil-images/mine/5w1m) | MACV GP1 CR1-07 Fab 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, CR1-07 Fab heavy chain, ... | Authors: | Raymond, D.D, Clark, L.E, Abraham, J. | Deposit date: | 2017-06-03 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.91 Å) | Cite: | Vaccine-elicited receptor-binding site antibodies neutralize two New World hemorrhagic fever arenaviruses. Nat Commun, 9, 2018
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5W1K
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![BU of 5w1k by Molmil](/molmil-images/mine/5w1k) | JUNV GP1 CR1-10 Fab CR1-28 Fab 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, CR1-10 Fab heavy chain, ... | Authors: | Raymond, D.D, Clark, L.E, Abraham, J. | Deposit date: | 2017-06-03 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.99 Å) | Cite: | Vaccine-elicited receptor-binding site antibodies neutralize two New World hemorrhagic fever arenaviruses. Nat Commun, 9, 2018
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1RPW
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![BU of 1rpw by Molmil](/molmil-images/mine/1rpw) | Crystal Structure Of The Multidrug Binding Protein Qacr Bound To The Diamidine Hexamidine | Descriptor: | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE, SULFATE ION, Transcriptional regulator qacR | Authors: | Murray, D.S, Schumacher, M.A, Brennan, R.G. | Deposit date: | 2003-12-03 | Release date: | 2004-06-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of QacR-diamidine complexes reveal additional multidrug-binding modes and a novel mechanism of drug charge neutralization. J.Biol.Chem., 279, 2004
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1RKW
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![BU of 1rkw by Molmil](/molmil-images/mine/1rkw) | CRYSTAL STRUCTURE OF THE MULTIDRUG BINDING TRANSCRIPTIONAL REPRESSOR QACR BOUND TO PENTAMADINE | Descriptor: | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, SULFATE ION, Transcriptional regulator qacR | Authors: | Murray, D.S, Schumacher, M.A, Brennan, R.G. | Deposit date: | 2003-11-23 | Release date: | 2004-06-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structures of QacR-diamidine complexes reveal additional multidrug-binding modes and a novel mechanism of drug charge neutralization. J.Biol.Chem., 279, 2004
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5W6G
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![BU of 5w6g by Molmil](/molmil-images/mine/5w6g) | Human antibody 6649 in complex with influenza hemagglutinin H1 Solomon Islands | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6649 antibody heavy chain, ... | Authors: | Raymond, D.D, Harrison, S.C. | Deposit date: | 2017-06-16 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Conserved epitope on influenza-virus hemagglutinin head defined by a vaccine-induced antibody. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5W1G
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![BU of 5w1g by Molmil](/molmil-images/mine/5w1g) | CR1-07 unliganded Fab | Descriptor: | CR1-07 Fab heavy chain, CR1-07 Fab light chain | Authors: | Raymond, D.D, Clark, L.E, Abraham, J. | Deposit date: | 2017-06-03 | Release date: | 2018-05-30 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Vaccine-elicited receptor-binding site antibodies neutralize two New World hemorrhagic fever arenaviruses. Nat Commun, 9, 2018
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5W6C
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![BU of 5w6c by Molmil](/molmil-images/mine/5w6c) | UCA Fab (unbound) from 6649 Lineage | Descriptor: | UCA Fab heavy chain, UCA Fab light chain | Authors: | Raymond, D.D, Harrison, S.C. | Deposit date: | 2017-06-16 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.634 Å) | Cite: | Conserved epitope on influenza-virus hemagglutinin head defined by a vaccine-induced antibody. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5IBU
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![BU of 5ibu by Molmil](/molmil-images/mine/5ibu) | 6652 Fab (unbound) | Descriptor: | 6652 Heavy Chain, 6652 Light Chain | Authors: | Raymond, D.D, Harrison, S.C. | Deposit date: | 2016-02-22 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Influenza immunization elicits antibodies specific for an egg-adapted vaccine strain. Nat. Med., 22, 2016
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5IBT
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![BU of 5ibt by Molmil](/molmil-images/mine/5ibt) | UCA Fab (unbound) from 6515 Lineage | Descriptor: | GLYCEROL, UCA Heavy Chain, UCA Light Chain | Authors: | Raymond, D.D, Harrison, S.C. | Deposit date: | 2016-02-22 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Influenza immunization elicits antibodies specific for an egg-adapted vaccine strain. Nat. Med., 22, 2016
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5W3N
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![BU of 5w3n by Molmil](/molmil-images/mine/5w3n) | Molecular structure of FUS low sequence complexity domain protein fibrils | Descriptor: | RNA-binding protein FUS | Authors: | Murray, D.T, Kato, M, Lin, Y, Thurber, K, Hung, I, McKnight, S, Tycko, R. | Deposit date: | 2017-06-08 | Release date: | 2017-09-27 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Structure of FUS Protein Fibrils and Its Relevance to Self-Assembly and Phase Separation of Low-Complexity Domains. Cell, 171, 2017
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3LYF
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4H5O
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4H5L
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4H5P
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4H5M
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![BU of 4h5m by Molmil](/molmil-images/mine/4h5m) | |
4H5Q
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7TD3
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![BU of 7td3 by Molmil](/molmil-images/mine/7td3) | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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