9GDY
 
 | | SARS-CoV-2 Spike protein Beta Variant at 37C structural flexibility / heterogeneity analyses | | Descriptor: | Spike glycoprotein,Fibritin | | Authors: | Herreros, D, Mata, C.P, Noddings, C, Irene, D, Agard, D.A, Tsai, M.-D, Sorzano, C.O.S, Carazo, J.M. | | Deposit date: | 2024-08-06 | | Release date: | 2024-10-30 | | Last modified: | 2025-05-07 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Real-space heterogeneous reconstruction, refinement, and disentanglement of CryoEM conformational states with HetSIREN.
Nat Commun, 16, 2025
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6GUT
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8VVF
 | | Kappa opioid receptor:Galphai protein in complex with inverse agonist JDTic | | Descriptor: | (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Gati, C, Motiwala, Z, Tyson, A.S, Styrpejko, D, Han, G.W, Khan, S, Ramos-Gonzalez, N, Shenvi, R, Majumdar, S. | | Deposit date: | 2024-01-31 | | Release date: | 2025-01-15 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular mechanisms of inverse agonism via kappa-opioid receptor-G protein complexes.
Nat.Chem.Biol., 21, 2025
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2Y2A
 | | Structure of segment KLVFFA from the amyloid-beta peptide (Ab, residues 16-21), alternate polymorph I | | Descriptor: | ACETATE ION, AMYLOID BETA A4 PROTEIN | | Authors: | Colletier, J, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2010-12-14 | | Release date: | 2011-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
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6GJ6
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HGX
 | | Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)morpholin-2-yl)methoxy)phenyl)-3-cyclohexylurea | | Descriptor: | 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | | Deposit date: | 2018-08-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
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6YCY
 | | Plasmodium falciparum Myosin A full-length, post-rigor state | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2020-03-19 | | Release date: | 2020-11-11 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
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3AQ1
 | | Open state monomer of a group II chaperonin from methanococcoides burtonii | | Descriptor: | Thermosome subunit | | Authors: | Harrop, S.J, Pilak, O, Siddiqui, K.S, De Francisci, D, Burg, D, Williams, T.J, Cavicchioli, R, Curmi, P.M. | | Deposit date: | 2010-10-24 | | Release date: | 2011-09-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.746 Å) | | Cite: | Chaperonins from an Antarctic archaeon are predominantly monomeric: crystal structure of an open state monomer.
ENVIRON.MICROBIOL., 13, 2011
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6WXP
 | | De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE | | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | | Deposit date: | 2020-05-11 | | Release date: | 2020-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5YZC
 | | Crystal structure of the prefusion form of measles virus fusion protein in complex with a fusion inhibitor compound (AS-48) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitro-2-[(phenylacetyl)amino]benzamide, ... | | Authors: | Hashiguchi, T, Fukuda, Y, Matsuoka, R, Kuroda, D, Kubota, M, Shirogane, Y, Watanabe, S, Tsumoto, K, Kohda, D, Plemper, R.K, Yanagi, Y. | | Deposit date: | 2017-12-14 | | Release date: | 2018-02-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.334 Å) | | Cite: | Structures of the prefusion form of measles virus fusion protein in complex with inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5MSS
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6O1N
 | | Cryo-EM structure of TRPV5 (1-660) in nanodisc | | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | | Deposit date: | 2019-02-21 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insight into TRPV5 channel function and modulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6NZK
 | | Structural basis for human coronavirus attachment to sialic acid receptors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike surface glycoprotein, ... | | Authors: | Tortorici, M.A, Walls, A.C, Lang, Y, Wang, C, Li, Z, Koerhuis, D, Boons, G.J, Bosch, B.J, Rey, F.A, de Groot, R, Veesler, D. | | Deposit date: | 2019-02-13 | | Release date: | 2019-06-05 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for human coronavirus attachment to sialic acid receptors.
Nat.Struct.Mol.Biol., 26, 2019
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6O1U
 | | Cryo-EM structure of TRPV5 W583A in nanodisc | | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | | Deposit date: | 2019-02-21 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insight into TRPV5 channel function and modulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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1FDP
 | | PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D | | Descriptor: | PROENZYME OF COMPLEMENT FACTOR D | | Authors: | Jing, H, Macon, K.J, Moore, D, Delucas, L.J, Volanakis, J.E, Narayana, S.V.L. | | Deposit date: | 1998-12-03 | | Release date: | 1999-12-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of profactor D activation: from a highly flexible zymogen to a novel self-inhibited serine protease, complement factor D.
Embo J., 18, 1999
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7U2Q
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7U2T
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6O1P
 | | Cryo-EM structure of full length TRPV5 in nanodisc | | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | | Deposit date: | 2019-02-21 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insight into TRPV5 channel function and modulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8WUA
 | | cryo-EM structure of human TMEM63A | | Descriptor: | CSC1-like protein 1 | | Authors: | Yang, D. | | Deposit date: | 2023-10-20 | | Release date: | 2024-01-24 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A monomeric structure of human TMEM63A protein.
Proteins, 92, 2024
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6O97
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with propylamycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.75A resolution | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Matsushita, T, Sati, G.C, Kondasinghe, N, Pirrone, M.G, Kato, T, Waduge, P, Kumar, H.S, Sanchon, A.C, Dobosz-Bartoszek, M, Shcherbakov, D, Juhas, M, Hobbie, S.N, Schrepfer, T, Chow, C.S, Polikanov, Y.S, Schacht, J, Vasella, A, Bottger, E.C, Crich, D. | | Deposit date: | 2019-03-13 | | Release date: | 2019-04-17 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Design, Multigram Synthesis, and in Vitro and in Vivo Evaluation of Propylamycin: A Semisynthetic 4,5-Deoxystreptamine Class Aminoglycoside for the Treatment of Drug-Resistant Enterobacteriaceae and Other Gram-Negative Pathogens.
J. Am. Chem. Soc., 141, 2019
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5AD2
 | | Bivalent binding to BET bromodomains | | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
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6NB5
 | | Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment | | Descriptor: | LCA60 antigen-binding (Fab) fragment, heavy chain, light chain | | Authors: | Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
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6NB8
 | | Crystal structure of anti- SARS-CoV human neutralizing S230 antibody Fab fragment | | Descriptor: | S230 antigen-binding (Fab) fragment, heavy chain, light chain | | Authors: | Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
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5MSU
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8WIK
 | | Crystal structure of human FSP1 | | Descriptor: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Feng, S, Huang, X, Tang, D, Qi, S. | | Deposit date: | 2023-09-24 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of human ferroptosis suppressive protein 1 in complex with flavin adenine dinucleotide and nicotinamide adenine nucleotide.
MedComm (2020), 5, 2024
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